SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'KCX'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_1
(ADENOSINE DEAMINASE)		 3mkv PUTATIVE
AMIDOHYDROLASE
(unidentified) 		5 / 12 HIS A  65
ASP A 324
LEU A 230
MET A 193
ASP A 105
 ZN  A 425 (-3.3A)
ZN  A 425 (-2.6A)
KCX  A 191 ( 4.0A)
KCX  A 191 ( 4.0A)
None
 1.27A 1a4lB-3mkvA:
19.4		 1a4lB-3mkvA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		 5c2c FORM II RUBISCO
(Gallionella) 		4 / 7 HIS A 285
HIS A 321
HIS A 287
THR A 391
 KCX  A 191 ( 3.7A)
KCX  A 191 ( 3.5A)
KCX  A 191 ( 4.0A)
KCX  A 191 ( 2.9A)
 0.96A 1am6A-5c2cA:
undetectable		 1am6A-5c2cA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		4 / 7 HIS A 286
HIS A 322
HIS A 288
THR A 392
 KCX  A 192 ( 3.5A)
KCX  A 192 (-3.8A)
CAP  A 500 (-3.9A)
KCX  A 192 ( 3.1A)
 0.91A 1am6A-5hqlA:
undetectable		 1am6A-5hqlA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		 5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III
(Methanococcoides
burtonii) 		4 / 7 HIS A 286
HIS A 322
HIS A 288
THR A 422
 KCX  A 193 ( 4.3A)
CAP  A 501 (-4.0A)
CAP  A 501 (-3.8A)
KCX  A 193 ( 3.7A)
 0.80A 1am6A-5macA:
undetectable		 1am6A-5macA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 1vft ALANINE RACEMASE
(Streptomyces
lavendulae) 		3 / 3 TRP A  84
VAL A 102
TRP A 166
 DCS  A 401 ( 3.9A)
None
KCX  A 129 ( 3.4A)
 0.83A 1c4dA-1vftA:
undetectable
1c4dB-1vftA:
undetectable		 1c4dA-1vftA:
11.20
1c4dB-1vftA:
11.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 5fac ALANINE RACEMASE
(Streptomyces
coelicolor) 		3 / 3 TRP A  96
VAL A 114
TRP A 179
 PLP  A 401 (-3.4A)
None
KCX  A 141 (-3.6A)
 0.82A 1c4dA-5facA:
undetectable
1c4dB-5facA:
undetectable		 1c4dA-5facA:
7.04
1c4dB-5facA:
7.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3n2c PROLIDASE
(unidentified) 		5 / 10 THR A 224
ALA A 222
LEU A 134
VAL A 166
ILE A 215
 None
None
KCX  A 188 ( 3.9A)
None
None
 1.25A 1claA-3n2cA:
undetectable		 1claA-3n2cA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.91A 1cqeA-4c13A:
undetectable		 1cqeA-4c13A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.91A 1cqeB-4c13A:
undetectable		 1cqeB-4c13A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 LEU A 227
LEU A 103
LEU A 133
GLY A 160
PHE A 339
 None
KCX  A 162 ( 4.2A)
KCX  A 162 ( 4.2A)
None
None
 1.24A 1d4fA-1pojA:
2.1		 1d4fA-1pojA:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_A_HLTA4002_1
(SERUM ALBUMIN)		 1w78 FOLC BIFUNCTIONAL
PROTEIN
(Escherichia
coli) 		4 / 4 ARG A 186
ALA A 189
ALA A 213
GLU A 215
 None
KCX  A 188 ( 3.7A)
None
None
 1.22A 1e7bA-1w78A:
undetectable		 1e7bA-1w78A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7B_B_HLTB4002_1
(SERUM ALBUMIN)		 1w78 FOLC BIFUNCTIONAL
PROTEIN
(Escherichia
coli) 		4 / 4 ARG A 186
ALA A 189
ALA A 213
GLU A 215
 None
KCX  A 188 ( 3.7A)
None
None
 1.17A 1e7bB-1w78A:
undetectable		 1e7bB-1w78A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4002_1
(SERUM ALBUMIN)		 1w78 FOLC BIFUNCTIONAL
PROTEIN
(Escherichia
coli) 		4 / 5 ARG A 186
ALA A 189
ALA A 213
GLU A 215
 None
KCX  A 188 ( 3.7A)
None
None
 1.15A 1e7cA-1w78A:
undetectable		 1e7cA-1w78A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		4 / 5 HIS A  77
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.85A 1e9yB-2ogjA:
18.4		 1e9yB-2ogjA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 3ovg AMIDOHYDROLASE
(Mycoplasma
synoviae) 		5 / 5 HIS A  24
HIS A 100
HIS A 186
HIS A 214
ASP A 272
 ZN  A 362 (-3.6A)
KCX  A 153 ( 4.1A)
ZN  A 363 (-3.5A)
ZN  A 363 (-3.5A)
ZN  A 362 (-2.7A)
 0.90A 1e9yB-3ovgA:
13.9		 1e9yB-3ovgA:
22.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 5 HIS C 135
HIS C 220
HIS C 247
HIS C 273
ASP C 361
 FE  C 775 (-3.5A)
KCX  C 218 (-4.2A)
FE  C 774 (-3.4A)
FE  C 774 (-3.3A)
FE  C 775 (-2.5A)
 0.37A 1e9yB-3qgkC:
60.6		 1e9yB-3qgkC:
74.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 4g7e UREASE
(Cajanus
cajan) 		5 / 5 HIS B 407
HIS B 492
HIS B 519
HIS B 545
ASP B 633
 NI  B 901 (-3.3A)
KCX  B 490 ( 4.1A)
NI  B 902 (-3.2A)
NI  B 902 (-3.3A)
NI  B 901 (-2.6A)
 0.36A 1e9yB-4g7eB:
63.0		 1e9yB-4g7eB:
40.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 5 HIS C 137
HIS C 222
HIS C 249
HIS C 275
ASP C 363
 NI  C 601 ( 3.2A)
KCX  C 220 ( 4.1A)
NI  C 600 ( 3.2A)
NI  C 600 ( 3.3A)
NI  C 601 ( 2.6A)
 0.40A 1e9yB-5fseC:
64.9		 1e9yB-5fseC:
61.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.89A 1eqhA-4c13A:
undetectable		 1eqhA-4c13A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.91A 1eqhB-4c13A:
undetectable		 1eqhB-4c13A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 2qf7 PYRUVATE CARBOXYLASE
PROTEIN
(Rhizobium
etli) 		5 / 12 GLY A 622
ASN A 662
SER A 920
PHE A 654
VAL A 653
 None
None
None
KCX  A 718 ( 4.2A)
None
 1.02A 1ffyA-2qf7A:
undetectable		 1ffyA-2qf7A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FFY_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		5 / 12 GLY A 622
ASN A 662
SER A 920
PHE A 654
VAL A 653
 None
None
None
KCX  A 718 ( 4.0A)
None
 1.13A 1ffyA-4jx6A:
undetectable		 1ffyA-4jx6A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FSL_A_NIOA145_1
(LEGHEMOGLOBIN A)		 1gkp HYDANTOINASE
(Thermus
sp.) 		4 / 8 PHE A 224
ILE A 151
LEU A 228
VAL A 180
 None
KCX  A 150 ( 4.0A)
None
None
 0.84A 1fslA-1gkpA:
undetectable		 1fslA-1gkpA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FSL_B_NIOB145_1
(LEGHEMOGLOBIN A)		 1gkp HYDANTOINASE
(Thermus
sp.) 		4 / 8 PHE A 224
ILE A 151
LEU A 228
VAL A 180
 None
KCX  A 150 ( 4.0A)
None
None
 0.80A 1fslB-1gkpA:
undetectable		 1fslB-1gkpA:
17.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FWE_C_HAEC989_1
(UREASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		6 / 6 HIS B 136
HIS B 138
HIS B 221
HIS B 248
HIS B 274
ASP B 362
 NI  B3002 (-3.5A)
NI  B3002 (-3.3A)
KCX  B 219 (-4.0A)
NI  B3001 ( 3.4A)
NI  B3001 ( 3.5A)
HAE  B 800 ( 2.5A)
 0.26A 1fweC-1e9yB:
60.2		 1fweC-1e9yB:
61.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FWE_C_HAEC989_1
(UREASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 6 HIS A  77
HIS A  79
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 418 (-3.4A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.82A 1fweC-2ogjA:
18.9		 1fweC-2ogjA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FWE_C_HAEC989_1
(UREASE)		 3ovg AMIDOHYDROLASE
(Mycoplasma
synoviae) 		6 / 6 HIS A  24
HIS A  26
HIS A 100
HIS A 186
HIS A 214
ASP A 272
 ZN  A 362 (-3.6A)
ZN  A 362 (-3.5A)
KCX  A 153 ( 4.1A)
ZN  A 363 (-3.5A)
ZN  A 363 (-3.5A)
ZN  A 362 (-2.7A)
 0.93A 1fweC-3ovgA:
13.4		 1fweC-3ovgA:
20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FWE_C_HAEC989_1
(UREASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		6 / 6 HIS C 135
HIS C 137
HIS C 220
HIS C 247
HIS C 273
ASP C 361
 FE  C 775 (-3.5A)
FE  C 775 (-3.3A)
KCX  C 218 (-4.2A)
FE  C 774 (-3.4A)
FE  C 774 (-3.3A)
FE  C 775 (-2.5A)
 0.34A 1fweC-3qgkC:
60.4		 1fweC-3qgkC:
59.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FWE_C_HAEC989_1
(UREASE)		 4g7e UREASE
(Cajanus
cajan) 		6 / 6 HIS B 407
HIS B 409
HIS B 492
HIS B 519
HIS B 545
ASP B 633
 NI  B 901 (-3.3A)
NI  B 901 (-3.3A)
KCX  B 490 ( 4.1A)
NI  B 902 (-3.2A)
NI  B 902 (-3.3A)
NI  B 901 (-2.6A)
 0.30A 1fweC-4g7eB:
59.7		 1fweC-4g7eB:
40.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1FWE_C_HAEC989_1
(UREASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		6 / 6 HIS C 137
HIS C 139
HIS C 222
HIS C 249
HIS C 275
ASP C 363
 NI  C 601 ( 3.2A)
NI  C 601 (-3.5A)
KCX  C 220 ( 4.1A)
NI  C 600 ( 3.2A)
NI  C 600 ( 3.3A)
NI  C 601 ( 2.6A)
 0.30A 1fweC-5fseC:
60.8		 1fweC-5fseC:
64.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.72A 1ghmA-1k38A:
17.5		 1ghmA-1k38A:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 ALA C  71
SER C  72
SER C 120
LYS C 210
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
 0.64A 1ghmA-3if6C:
17.1		 1ghmA-3if6C:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
None
SO4  A   4 (-3.4A)
 0.74A 1ghmA-3qnbA:
17.7		 1ghmA-3qnbA:
25.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 ALA A  56
SER A  57
SER A 106
LYS A 196
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
 0.61A 1ghmA-4iedA:
18.2		 1ghmA-4iedA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  78
SER A  79
SER A 126
LYS A 216
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.61A 1ghmA-4k0xA:
18.1		 1ghmA-4k0xA:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		7 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
SER A 221
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.1A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.50A 1ghmA-4oh0A:
17.1		 1ghmA-4oh0A:
25.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
SER A 221
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
None
 0.61A 1ghmA-5bohA:
17.0		 1ghmA-5bohA:
26.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		7 / 12 ALA A  80
SER A  81
SER A 128
LYS A 218
SER A 219
GLY A 220
ARG A 261
 None
KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-2.8A)
GOL  A 301 (-3.3A)
GOL  A 301 (-3.1A)
 0.75A 1ghmA-5iy2A:
18.3		 1ghmA-5iy2A:
25.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GHM_A_CEDA1_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 ALA A  79
SER A  80
SER A 127
LYS A 217
SER A 218
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
None
FMT  A 301 (-3.3A)
None
 0.67A 1ghmA-5kzhA:
18.3		 1ghmA-5kzhA:
26.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		 4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE
(Thermus
thermophilus) 		5 / 12 LEU A  95
LEU A  94
ALA A 103
LEU A 106
PHE A 109
 None
None
None
KCX  A 108 ( 3.9A)
KCX  A 108 ( 4.6A)
 1.08A 1gs4A-4s38A:
undetectable		 1gs4A-4s38A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_A_CHDA1501_0
(FERROCHELATASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		5 / 12 MET A 127
ILE A 176
LEU A 217
VAL A 209
VAL A 185
 KCX  A  86 ( 3.6A)
None
None
None
None
 1.19A 1hrkA-4oh0A:
undetectable		 1hrkA-4oh0A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE
(Thermus
thermophilus) 		5 / 12 ILE A 281
GLY A 256
ALA A 248
LEU A 247
VAL A 200
 None
None
None
None
KCX  A 108 ( 4.4A)
 1.03A 1i9gA-4s38A:
undetectable		 1i9gA-4s38A:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		 4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN
(Mycobacterium
tuberculosis) 		5 / 10 LEU A 144
VAL A  93
ILE A 139
GLY A 138
GLY A 133
 KCX  A 145 ( 4.1A)
None
None
None
None
 0.84A 1k6cA-4if2A:
undetectable		 1k6cA-4if2A:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIJ_B_NOVB444_2
(DNA GYRASE SUBUNIT B)		 4rdy PARATHION HYDROLASE
(Vulcanisaeta
moutnovskia) 		3 / 3 ASP A 122
PHE A 136
VAL A  70
 None
None
KCX  A 138 ( 4.8A)
 0.78A 1kijB-4rdyA:
undetectable		 1kijB-4rdyA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT3_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 6cty DIHYDROOROTASE
(Yersinia
pestis) 		4 / 7 LEU A 162
LEU A 104
TYR A 124
LEU A 172
 None
KCX  A 103 ( 4.5A)
None
None
 1.10A 1kt3A-6ctyA:
undetectable		 1kt3A-6ctyA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT3_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN
(Skeletonema
marinoi) 		4 / 7 LEU A 403
MET A 270
TYR A 243
LEU A 201
 HLU  A 174 ( 4.8A)
KCX  A 205 ( 3.6A)
KCX  A 205 ( 4.1A)
HLU  A 174 ( 3.6A)
 1.01A 1kt3A-6ftlA:
undetectable		 1kt3A-6ftlA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 4g7e UREASE
(Cajanus
cajan) 		5 / 12 LEU B 506
LEU B 489
ALA B 484
ALA B 486
VAL B 516
 None
KCX  B 490 ( 4.0A)
None
None
None
 1.23A 1kt4A-4g7eB:
undetectable		 1kt4A-4g7eB:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 12 LEU C 236
LEU C 219
ALA C 214
ALA C 216
VAL C 246
 None
KCX  C 220 ( 4.0A)
None
None
None
 1.17A 1kt4A-5fseC:
undetectable		 1kt4A-5fseC:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA733_1
(ALPHA AMYLASE)		 5j84 DIHYDROXY-ACID
DEHYDRATASE
(Rhizobium
leguminosarum) 		4 / 6 SER A 133
ASN A 103
LEU A 563
ASP A 562
 KCX  A 129 ( 2.8A)
None
None
None
 1.14A 1mxdA-5j84A:
undetectable		 1mxdA-5j84A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA443_1
(ALPHA AMYLASE)		 5j84 DIHYDROXY-ACID
DEHYDRATASE
(Rhizobium
leguminosarum) 		4 / 8 SER A 133
ASN A 103
LEU A 563
ASP A 562
 KCX  A 129 ( 2.8A)
None
None
None
 1.14A 1mxgA-5j84A:
undetectable		 1mxgA-5j84A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 THR A 391
ILE A 320
GLY A 319
THR A 363
ALA A 259
 KCX  A 191 ( 2.9A)
None
None
None
None
 0.99A 1nv8A-5c2cA:
undetectable		 1nv8A-5c2cA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 12 THR A 392
ILE A 321
GLY A 320
THR A 364
ALA A 260
 KCX  A 192 ( 3.1A)
None
None
None
None
 0.92A 1nv8A-5hqlA:
2.0		 1nv8A-5hqlA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 THR A 391
ILE A 320
GLY A 319
THR A 363
ALA A 259
 KCX  A 191 ( 2.9A)
None
None
None
None
 0.97A 1nv8B-5c2cA:
undetectable		 1nv8B-5c2cA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 12 THR A 392
ILE A 321
GLY A 320
THR A 364
ALA A 260
 KCX  A 192 ( 3.1A)
None
None
None
None
 0.91A 1nv8B-5hqlA:
undetectable		 1nv8B-5hqlA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_B_BEZB504_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4rdy PARATHION HYDROLASE
(Vulcanisaeta
moutnovskia) 		4 / 7 LEU A 182
ILE A 185
ALA A 139
ILE A 103
 None
None
KCX  A 138 ( 3.4A)
None
 0.93A 1oniB-4rdyA:
undetectable
1oniC-4rdyA:
undetectable		 1oniB-4rdyA:
18.04
1oniC-4rdyA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OQ5_A_CELA701_2
(CARBONIC ANHYDRASE
II)		 1gkp HYDANTOINASE
(Thermus
sp.) 		4 / 4 HIS A 239
VAL A 264
THR A 181
LEU A 374
 ZN  A1460 (-3.5A)
None
KCX  A 150 ( 4.3A)
None
 1.46A 1oq5A-1gkpA:
0.0		 1oq5A-1gkpA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_G_FUAG708_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE
(Dictyostelium
discoideum) 		5 / 11 PHE A 160
SER A 108
LEU A 148
VAL A 154
PHE A 157
 KCX  A 158 ( 4.2A)
None
None
None
None
 1.48A 1q23G-2ftwA:
0.0		 1q23G-2ftwA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_G_FUAG708_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE
(Pseudomonas
aeruginosa) 		5 / 11 PHE A 152
SER A 101
LEU A 140
VAL A 146
PHE A 149
 KCX  A 150 ( 4.0A)
None
None
None
None
 1.37A 1q23G-5ykdA:
undetectable		 1q23G-5ykdA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QU3_A_MRCA993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		5 / 12 GLY A 622
ASN A 662
SER A 920
PHE A 654
VAL A 653
 None
None
None
KCX  A 718 ( 4.0A)
None
 1.18A 1qu3A-4jx6A:
undetectable		 1qu3A-4jx6A:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		4 / 8 THR B 170
GLY B 159
ILE B 172
PRO B 174
 None
None
KCX  B 219 ( 4.4A)
None
 0.95A 1rxcB-1e9yB:
undetectable		 1rxcB-1e9yB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 169
GLY C 159
ILE C 171
PRO C 173
 None
None
KCX  C 218 ( 4.7A)
None
 0.83A 1rxcB-3qgkC:
undetectable		 1rxcB-3qgkC:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_E_URFE2031_1
(URIDINE
PHOSPHORYLASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		4 / 8 THR B 170
GLY B 159
ILE B 172
PRO B 174
 None
None
KCX  B 219 ( 4.4A)
None
 0.97A 1rxcE-1e9yB:
undetectable		 1rxcE-1e9yB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_E_URFE2031_1
(URIDINE
PHOSPHORYLASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 169
GLY C 159
ILE C 171
PRO C 173
 None
None
KCX  C 218 ( 4.7A)
None
 0.80A 1rxcE-3qgkC:
undetectable		 1rxcE-3qgkC:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_I_URFI2041_1
(URIDINE
PHOSPHORYLASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		4 / 8 THR B 170
GLY B 159
ILE B 172
PRO B 174
 None
None
KCX  B 219 ( 4.4A)
None
 0.97A 1rxcI-1e9yB:
undetectable		 1rxcI-1e9yB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_I_URFI2041_1
(URIDINE
PHOSPHORYLASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 169
GLY C 159
ILE C 171
PRO C 173
 None
None
KCX  C 218 ( 4.7A)
None
 0.84A 1rxcI-3qgkC:
undetectable		 1rxcI-3qgkC:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_K_URFK2061_1
(URIDINE
PHOSPHORYLASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		4 / 8 THR B 170
GLY B 159
ILE B 172
PRO B 174
 None
None
KCX  B 219 ( 4.4A)
None
 0.92A 1rxcK-1e9yB:
undetectable		 1rxcK-1e9yB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RXC_K_URFK2061_1
(URIDINE
PHOSPHORYLASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 169
GLY C 159
ILE C 171
PRO C 173
 None
None
KCX  C 218 ( 4.7A)
None
 0.82A 1rxcK-3qgkC:
undetectable		 1rxcK-3qgkC:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		5 / 12 LEU A  75
ALA A  82
VAL A 119
TYR A 120
LEU A 191
 None
None
None
KCX  A  70 ( 3.7A)
None
 1.04A 1s9pA-1k38A:
undetectable		 1s9pA-1k38A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		5 / 12 LEU C  80
ALA C  87
VAL C 124
TYR C 125
LEU C 196
 None
None
None
KCX  C  75 ( 3.6A)
None
 1.11A 1s9pA-3if6C:
undetectable		 1s9pA-3if6C:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		5 / 12 LEU A  75
ALA A  82
VAL A 119
TYR A 120
LEU A 191
 None
None
None
KCX  A  70 ( 3.7A)
None
 1.03A 1s9pB-1k38A:
undetectable		 1s9pB-1k38A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		5 / 12 LEU C  80
ALA C  87
VAL C 124
TYR C 125
LEU C 196
 None
None
None
KCX  C  75 ( 3.6A)
None
 1.09A 1s9pB-3if6C:
undetectable		 1s9pB-3if6C:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_D_DESD600_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		5 / 12 LEU A  75
ALA A  82
VAL A 119
TYR A 120
LEU A 191
 None
None
None
KCX  A  70 ( 3.7A)
None
 1.04A 1s9pD-1k38A:
0.0		 1s9pD-1k38A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SQF_A_SAMA430_0
(SUN PROTEIN)		 3e74 ALLANTOINASE
(Escherichia
coli) 		5 / 12 GLY A 125
GLY A 124
ASP A 163
ASP A 166
ARG A 226
 KCX  A 146 ( 3.4A)
None
None
None
None
 0.90A 1sqfA-3e74A:
undetectable		 1sqfA-3e74A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 353
ILE A 354
ILE A 297
PHE A 266
LEU A 265
 None
None
None
KCX  A 262 ( 4.5A)
KCX  A 262 ( 4.4A)
 1.03A 1uduB-2wtzA:
undetectable		 1uduB-2wtzA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 LEU A 227
ASP A 252
THR A 254
LEU A 103
GLY A 102
 None
None
None
KCX  A 162 ( 4.2A)
None
 1.33A 1v8bA-1pojA:
undetectable		 1v8bA-1pojA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 HIS A  70
THR A  84
LEU A 103
GLY A 102
PHE A 307
 ZN  A 601 ( 3.6A)
None
KCX  A 162 ( 4.2A)
None
None
 1.48A 1v8bB-1pojA:
undetectable		 1v8bB-1pojA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 LEU A 227
ASP A 252
THR A 254
LEU A 103
GLY A 102
 None
None
None
KCX  A 162 ( 4.2A)
None
 1.32A 1v8bB-1pojA:
undetectable		 1v8bB-1pojA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 HIS A  68
ASP A 285
LEU A 103
GLY A 102
PHE A 307
 ZN  A 601 (-3.6A)
AE1  A 401 ( 2.6A)
KCX  A 162 ( 4.2A)
None
None
 1.25A 1v8bD-1pojA:
undetectable		 1v8bD-1pojA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 LEU A 227
ASP A 252
THR A 254
LEU A 103
GLY A 102
 None
None
None
KCX  A 162 ( 4.2A)
None
 1.30A 1v8bD-1pojA:
undetectable		 1v8bD-1pojA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VQ1_A_SAMA301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 3s46 ALANINE RACEMASE
(Streptococcus
pneumoniae) 		5 / 12 ILE A 130
GLY A 135
ILE A 137
PHE A 184
ALA A 167
 KCX  A 129 ( 3.8A)
None
KCX  A 129 ( 4.5A)
None
None
 1.39A 1vq1A-3s46A:
undetectable		 1vq1A-3s46A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 THR A 391
GLY A 393
GLY A 394
GLY A 370
PHE A 189
 KCX  A 191 ( 2.9A)
None
None
None
KCX  A 191 ( 4.0A)
 0.70A 1wg8A-5c2cA:
undetectable		 1wg8A-5c2cA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 12 THR A 392
GLY A 394
GLY A 395
GLY A 371
PHE A 190
 KCX  A 192 ( 3.1A)
CAP  A 500 (-3.4A)
CAP  A 500 (-3.7A)
CAP  A 500 (-3.4A)
KCX  A 192 ( 4.0A)
 0.85A 1wg8A-5hqlA:
undetectable		 1wg8A-5hqlA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 THR A 391
GLY A 393
GLY A 394
GLY A 370
PHE A 189
 KCX  A 191 ( 2.9A)
None
None
None
KCX  A 191 ( 4.0A)
 0.70A 1wg8B-5c2cA:
undetectable		 1wg8B-5c2cA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 12 THR A 392
GLY A 394
GLY A 395
GLY A 371
PHE A 190
 KCX  A 192 ( 3.1A)
CAP  A 500 (-3.4A)
CAP  A 500 (-3.7A)
CAP  A 500 (-3.4A)
KCX  A 192 ( 4.0A)
 0.85A 1wg8B-5hqlA:
undetectable		 1wg8B-5hqlA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_F_TFPF211_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD
(Lactobacillus
paracasei) 		4 / 7 LEU A 224
PHE A 252
PHE A 226
LEU A 129
 None
None
None
KCX  A 166 ( 3.8A)
 0.98A 1wrlE-2qpxA:
undetectable
1wrlF-2qpxA:
undetectable		 1wrlE-2qpxA:
11.41
1wrlF-2qpxA:
11.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)		 1vft ALANINE RACEMASE
(Streptomyces
lavendulae) 		4 / 8 LYS A  38
TYR A  42
ARG A 136
TYR A 361
 DCS  A 401 (-2.8A)
DCS  A 401 (-4.6A)
KCX  A 129 (-3.9A)
DCS  A 401 (-4.5A)
 0.45A 1xqlA-1vftA:
43.0
1xqlB-1vftA:
42.9		 1xqlA-1vftA:
35.38
1xqlB-1vftA:
35.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)		 5fac ALANINE RACEMASE
(Streptomyces
coelicolor) 		4 / 8 LYS A  46
TYR A  50
ARG A 148
TYR A 374
 PLP  A 401 (-1.3A)
PLP  A 401 (-4.6A)
KCX  A 141 ( 4.2A)
PLP  A 401 (-4.2A)
 0.93A 1xqlA-5facA:
43.2
1xqlB-5facA:
43.1		 1xqlA-5facA:
35.58
1xqlB-5facA:
35.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)		 1vft ALANINE RACEMASE
(Streptomyces
lavendulae) 		4 / 8 LYS A  38
TYR A  42
ARG A 136
TYR A 361
 DCS  A 401 (-2.8A)
DCS  A 401 (-4.6A)
KCX  A 129 (-3.9A)
DCS  A 401 (-4.5A)
 0.46A 1xqlA-1vftA:
43.0
1xqlB-1vftA:
42.9		 1xqlA-1vftA:
35.38
1xqlB-1vftA:
35.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)		 5fac ALANINE RACEMASE
(Streptomyces
coelicolor) 		4 / 8 LYS A  46
TYR A  50
ARG A 148
TYR A 374
 PLP  A 401 (-1.3A)
PLP  A 401 (-4.6A)
KCX  A 141 ( 4.2A)
PLP  A 401 (-4.2A)
 0.97A 1xqlA-5facA:
43.2
1xqlB-5facA:
43.1		 1xqlA-5facA:
35.58
1xqlB-5facA:
35.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1w78 FOLC BIFUNCTIONAL
PROTEIN
(Escherichia
coli) 		5 / 12 LEU A  32
GLY A 190
GLY A 151
LEU A 149
GLY A 148
 None
KCX  A 188 ( 4.1A)
KCX  A 188 ( 4.1A)
PD8  A1421 ( 4.4A)
PD8  A1421 (-4.0A)
 0.93A 1y4lA-1w78A:
undetectable		 1y4lA-1w78A:
14.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 12 ASN B 200
ALA B 230
LEU B 235
MET B 270
THR B 170
 KCX  B 219 ( 4.2A)
None
None
None
None
 1.38A 1ya3A-1e9yB:
undetectable		 1ya3A-1e9yB:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_C_CTXC1383_1
(CES1 PROTEIN)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		4 / 5 TRP A 157
PRO A  68
GLY A 210
LYS A 208
 KCX  A  66 ( 4.2A)
KCX  A  66 ( 4.5A)
None
KCX  A  66 ( 4.5A)
 1.49A 1ya4C-4gn2A:
1.6		 1ya4C-4gn2A:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		 4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 LEU A 223
LEU A 238
LEU A 239
LEU A 253
 None
None
KCX  A 175 ( 4.4A)
None
 1.11A 1yajD-4nasA:
undetectable		 1yajD-4nasA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_G_BEZG3385_0
(CES1 PROTEIN)		 2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD
(Lactobacillus
paracasei) 		3 / 3 SER A 167
VAL A 259
LEU A 224
 KCX  A 166 ( 4.7A)
None
None
 0.74A 1yajG-2qpxA:
undetectable		 1yajG-2qpxA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YMX_B_CFXB1002_1
(BETA-LACTAMASE
CTX-M-9)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
GLY A 241
SER A 242
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.2A)
FLC  A 301 (-2.8A)
None
 0.74A 1ymxB-5ctmA:
18.8		 1ymxB-5ctmA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZVL_B_H4BB920_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN
(Listeria
monocytogenes) 		4 / 6 PHE A 328
GLU A 179
ARG A   5
VAL A 153
 None
None
None
KCX  A 154 ( 3.2A)
 1.08A 1zvlA-3pnzA:
undetectable
1zvlB-3pnzA:
undetectable		 1zvlA-3pnzA:
21.14
1zvlB-3pnzA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA5_A_STRA301_1
(MINERALOCORTICOID
RECEPTOR)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 12 ASN B 200
ALA B 230
LEU B 235
MET B 270
THR B 170
 KCX  B 219 ( 4.2A)
None
None
None
None
 1.32A 2aa5A-1e9yB:
undetectable		 2aa5A-1e9yB:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_A_STRA401_1
(MINERALOCORTICOID
RECEPTOR)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 12 ASN B 200
ALA B 230
LEU B 235
MET B 270
THR B 170
 KCX  B 219 ( 4.2A)
None
None
None
None
 1.36A 2aa6A-1e9yB:
undetectable		 2aa6A-1e9yB:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 12 ASN B 200
ALA B 230
LEU B 235
MET B 270
THR B 170
 KCX  B 219 ( 4.2A)
None
None
None
None
 1.39A 2aa6B-1e9yB:
undetectable		 2aa6B-1e9yB:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.92A 2aylA-4c13A:
undetectable		 2aylA-4c13A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.91A 2aylB-4c13A:
undetectable		 2aylB-4c13A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		3 / 3 LYS A 155
ASP A  88
ASN A 116
 KCX  A 154 ( 3.5A)
None
KCX  A 154 ( 4.3A)
 0.98A 2bm9A-2icsA:
undetectable		 2bm9A-2icsA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		3 / 3 LYS A 176
ASP A 105
ASN A 134
 KCX  A 175 ( 3.5A)
None
KCX  A 175 ( 4.1A)
 0.93A 2bm9A-2ogjA:
undetectable		 2bm9A-2ogjA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		4 / 7 LEU A 209
THR A 210
HIS A 188
GLY A 247
 None
KCX  A 154 ( 4.6A)
ZN  A 401 ( 3.2A)
None
 0.99A 2ddwB-2icsA:
undetectable		 2ddwB-2icsA:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		 1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE
(Escherichia
coli) 		5 / 11 ASN A 271
TYR A 194
GLY A 111
THR A 217
THR A 180
 None
KCX  A 198 ( 4.2A)
KCX  A 198 ( 3.9A)
None
None
 1.34A 2f9wA-1uagA:
undetectable
2f9wB-1uagA:
1.1		 2f9wA-1uagA:
20.05
2f9wB-1uagA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FN1_A_SALA506_1
(SALICYLATE
SYNTHETASE, IRP9)		 3mkv PUTATIVE
AMIDOHYDROLASE
(unidentified) 		5 / 11 GLY A 322
THR A 274
HIS A  63
LEU A 230
GLY A 320
 None
None
ZN  A 425 (-3.2A)
KCX  A 191 ( 4.0A)
None
 1.32A 2fn1A-3mkvA:
undetectable		 2fn1A-3mkvA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 2fvm DIHYDROPYRIMIDINASE
(Lachancea
kluyveri) 		4 / 8 GLU A 278
PHE A  97
HIS A  62
GLY A 356
 None
KCX  A 167 ( 4.5A)
ZN  A 601 (-3.2A)
None
 1.07A 2ha4A-2fvmA:
undetectable		 2ha4A-2fvmA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_B_CHDB1605_0
(FERROCHELATASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		5 / 12 MET A 127
ILE A 176
LEU A 217
VAL A 209
VAL A 185
 KCX  A  86 ( 3.6A)
None
None
None
None
 1.20A 2hrcB-4oh0A:
undetectable		 2hrcB-4oh0A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRE_B_CHDB701_0
(FERROCHELATASE)		 2gwn DIHYDROOROTASE
(Porphyromonas
gingivalis) 		3 / 3 LYS A 150
GLY A 147
PRO A 146
 KCX  A 149 ( 3.4A)
None
None
 1.02A 2hreB-2gwnA:
undetectable		 2hreB-2gwnA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS1_A_017A201_1
(HIV-1 PROTEASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 12 GLY C 226
ALA C 227
ASP C 251
ILE C 248
ILE C 221
 None
None
None
None
KCX  C 220 ( 4.2A)
 0.97A 2hs1A-5fseC:
undetectable		 2hs1A-5fseC:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LH8_A_VIBA1_1
(MAJOR PRION PROTEIN)		 4c6o CAD PROTEIN
(Homo
sapiens) 		4 / 6 PRO A1504
HIS A1577
ASP A1569
TYR A1558
 KCX  A1556 ( 4.1A)
None
None
KCX  A1556 ( 3.6A)
 1.40A 2lh8A-4c6oA:
undetectable		 2lh8A-4c6oA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2M2O_B_DHIB24_0
(INSULIN B CHAIN)		 3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN
(Listeria
monocytogenes) 		4 / 6 ARG A 218
GLY A 191
LYS A 155
THR A 157
 None
None
KCX  A 154 ( 3.5A)
None
 1.01A 2m2oB-3pnzA:
undetectable		 2m2oB-3pnzA:
6.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_B_SAMB303_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 5j84 DIHYDROXY-ACID
DEHYDRATASE
(Rhizobium
leguminosarum) 		5 / 12 GLY A 204
GLY A 275
ILE A 267
ASN A 278
LEU A 284
 None
None
None
KCX  A 129 ( 3.9A)
None
 0.96A 2nxeB-5j84A:
undetectable		 2nxeB-5j84A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 12 ALA A 215
ALA A 405
ALA A 408
ILE A 191
LEU A 151
 None
None
None
KCX  A 192 ( 3.8A)
None
 1.11A 2nyrA-5hqlA:
undetectable		 2nyrA-5hqlA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		 5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN
(Rhodobacter
sphaeroides) 		5 / 12 HIS A 293
ILE A 383
LEU A 401
GLY A 173
ALA A 379
 KCX  A 203 ( 4.8A)
None
None
None
None
 0.99A 2oc8A-5nv3A:
undetectable		 2oc8A-5nv3A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OK6_H_BEZH2001_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 10 PHE A 177
GLN A 197
GLY A 198
ASN A 193
PHE A 231
 None
None
None
KCX  A 192 ( 4.9A)
None
 1.33A 2ok6A-5hqlA:
undetectable
2ok6H-5hqlA:
undetectable		 2ok6A-5hqlA:
22.52
2ok6H-5hqlA:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q7I_A_TESA205_1
(ANDROGEN RECEPTOR)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		5 / 12 LEU A 109
MET A 157
MET A 146
THR A 114
MET A 166
 None
None
KCX  A 104 ( 4.6A)
None
None
 1.13A 2q7iA-5ctmA:
undetectable		 2q7iA-5ctmA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q7K_A_TESA304_1
(ANDROGEN RECEPTOR)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		5 / 12 LEU A 109
MET A 157
MET A 146
THR A 114
MET A 166
 None
None
KCX  A 104 ( 4.6A)
None
None
 1.13A 2q7kA-5ctmA:
undetectable		 2q7kA-5ctmA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 7 ILE A 117
PRO A 194
ILE A 199
LEU A 202
ILE A 167
 KCX  A 154 ( 4.0A)
None
None
None
None
 1.26A 2q83A-2icsA:
undetectable		 2q83A-2icsA:
25.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD2_A_CHDA2_0
(FERROCHELATASE)		 3ovg AMIDOHYDROLASE
(Mycoplasma
synoviae) 		4 / 8 LEU A 200
ARG A 174
SER A  96
VAL A 121
 None
None
KCX  A 153 ( 3.4A)
None
 1.21A 2qd2A-3ovgA:
undetectable		 2qd2A-3ovgA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 ALA A 392
ILE A 164
ASP A 193
VAL A 322
GLY A 323
 None
KCX  A 191 ( 4.1A)
MG  A 501 (-2.9A)
None
None
 0.85A 2qe6A-5c2cA:
undetectable		 2qe6A-5c2cA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_B_SAMB400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 ALA A 392
ILE A 164
ASP A 193
VAL A 322
GLY A 323
 None
KCX  A 191 ( 4.1A)
MG  A 501 (-2.9A)
None
None
 0.92A 2qe6B-5c2cA:
undetectable		 2qe6B-5c2cA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEI_A_CXXA801_1
(TRANSPORTER)		 4rdy PARATHION HYDROLASE
(Vulcanisaeta
moutnovskia) 		5 / 11 LEU A 311
ILE A 169
PHE A 136
LEU A  68
ASP A  67
 None
None
None
KCX  A 138 ( 4.2A)
None
 1.25A 2qeiA-4rdyA:
undetectable		 2qeiA-4rdyA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 1k1d D-HYDANTOINASE
(Geobacillus
stearothermophil
us) 		5 / 12 ASN A 337
ILE A 372
ASP A  56
PHE A  92
HIS A 123
 None
None
None
KCX  A 150 ( 3.7A)
None
 1.42A 2qmjA-1k1dA:
2.6		 2qmjA-1k1dA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III
(Methanococcoides
burtonii) 		4 / 7 ARG A 151
ILE A 397
GLY A 163
PHE A 191
 None
None
None
KCX  A 193 ( 4.8A)
 0.89A 2tsrA-5macA:
undetectable		 2tsrA-5macA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_D_KLND1499_1
(CYTOCHROME P450 3A4)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		4 / 5 PHE A 252
PHE A 190
PHE A 231
ILE A 144
 None
KCX  A 192 ( 4.0A)
None
None
 1.25A 2v0mD-5hqlA:
undetectable		 2v0mD-5hqlA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2qf7 PYRUVATE CARBOXYLASE
PROTEIN
(Rhizobium
etli) 		3 / 3 LEU A 620
MET A 618
MET A 720
 None
None
KCX  A 718 ( 3.6A)
 0.88A 2vavF-2qf7A:
undetectable		 2vavF-2qf7A:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		3 / 3 LEU A 620
MET A 618
MET A 720
 None
None
KCX  A 718 ( 3.6A)
 0.91A 2vavF-4jx6A:
undetectable		 2vavF-4jx6A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD
(Lactobacillus
paracasei) 		4 / 8 HIS A  19
ILE A 168
HIS A  17
ASP A 100
 ZN  A 376 (-3.3A)
KCX  A 166 ( 4.9A)
ZN  A 376 (-3.3A)
KCX  A 166 ( 3.8A)
 1.05A 2xadA-2qpxA:
undetectable		 2xadA-2qpxA:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD
(Lactobacillus
paracasei) 		4 / 8 HIS A  19
ILE A 168
HIS A  17
ASP A 100
 ZN  A 376 (-3.3A)
KCX  A 166 ( 4.9A)
ZN  A 376 (-3.3A)
KCX  A 166 ( 3.8A)
 1.05A 2xadB-2qpxA:
undetectable		 2xadB-2qpxA:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD
(Lactobacillus
paracasei) 		4 / 8 HIS A  19
ILE A 168
HIS A  17
ASP A 100
 ZN  A 376 (-3.3A)
KCX  A 166 ( 4.9A)
ZN  A 376 (-3.3A)
KCX  A 166 ( 3.8A)
 1.05A 2xadC-2qpxA:
undetectable		 2xadC-2qpxA:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD
(Lactobacillus
paracasei) 		4 / 8 HIS A  19
ILE A 168
HIS A  17
ASP A 100
 ZN  A 376 (-3.3A)
KCX  A 166 ( 4.9A)
ZN  A 376 (-3.3A)
KCX  A 166 ( 3.8A)
 1.02A 2xadD-2qpxA:
undetectable		 2xadD-2qpxA:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_A_SALA1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 GLY B 279
GLY B 281
PHE B 334
HIS B 322
HIS B 221
 HAE  B 800 ( 4.5A)
None
None
None
KCX  B 219 (-4.0A)
 1.44A 2y7kA-1e9yB:
0.0		 2y7kA-1e9yB:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		5 / 12 THR A 121
TRP A 157
LEU A 162
ILE A 143
SER A 156
 None
KCX  A  66 ( 4.2A)
None
None
None
 1.45A 2ydoA-4gn2A:
undetectable		 2ydoA-4gn2A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLO_A_TESA1920_1
(ANDROGEN RECEPTOR)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		5 / 12 LEU A 109
MET A 157
MET A 146
THR A 114
MET A 166
 None
None
KCX  A 104 ( 4.6A)
None
None
 1.19A 2yloA-5ctmA:
undetectable		 2yloA-5ctmA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 2odo ALANINE RACEMASE
(Pseudomonas
fluorescens) 		5 / 12 GLY A 131
LEU A 102
ALA A 140
VAL A  98
LEU A 121
 KCX  A 122 ( 3.5A)
None
None
None
KCX  A 122 ( 3.9A)
 0.98A 2yqzA-2odoA:
undetectable		 2yqzA-2odoA:
26.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 5j84 DIHYDROXY-ACID
DEHYDRATASE
(Rhizobium
leguminosarum) 		5 / 12 GLY A 204
GLY A 275
ILE A 267
ASN A 278
LEU A 284
 None
None
None
KCX  A 129 ( 3.9A)
None
 0.88A 2zbpA-5j84A:
undetectable		 2zbpA-5j84A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 ASP A 252
LEU A 103
LEU A 133
GLY A 160
PHE A 339
 None
KCX  A 162 ( 4.2A)
KCX  A 162 ( 4.2A)
None
None
 1.41A 2zj0B-1pojA:
undetectable		 2zj0B-1pojA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3ovg AMIDOHYDROLASE
(Mycoplasma
synoviae) 		5 / 12 VAL A 185
SER A  96
VAL A 171
LEU A 112
LEU A 166
 None
KCX  A 153 ( 3.4A)
None
None
None
 1.31A 2zlcA-3ovgA:
undetectable		 2zlcA-3ovgA:
23.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)		 5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III
(Methanococcoides
burtonii) 		5 / 11 HIS A 322
ILE A 397
HIS A 286
SER A 399
ASP A 190
 CAP  A 501 (-4.0A)
None
KCX  A 193 ( 4.3A)
CAP  A 501 (-3.2A)
None
 1.26A 2zweA-5macA:
undetectable
2zweB-5macA:
undetectable		 2zweA-5macA:
21.47
2zweB-5macA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADX_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1rqb TRANSCARBOXYLASE 5S
SUBUNIT
(Propionibacteriu
m
freudenreichii) 		6 / 12 LEU A 183
SER A 218
ALA A 188
LEU A 227
LEU A 214
VAL A 238
 KCX  A 184 ( 4.0A)
None
None
None
None
None
 1.49A 3adxB-1rqbA:
undetectable		 3adxB-1rqbA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AX7_A_SALA1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE
(Pyrococcus
furiosus) 		4 / 8 SER A  98
THR A 476
VAL A 475
ALA A 344
 None
None
None
KCX  A 294 ( 4.1A)
 0.86A 3ax7A-3icjA:
undetectable		 3ax7A-3icjA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AX9_A_SALA1341_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE
(Pyrococcus
furiosus) 		4 / 8 SER A  98
THR A 476
VAL A 475
ALA A 344
 None
None
None
KCX  A 294 ( 4.1A)
 0.91A 3ax9A-3icjA:
undetectable		 3ax9A-3icjA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AXT_A_SAMA397_0
(PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1)		 2fvm DIHYDROPYRIMIDINASE
(Lachancea
kluyveri) 		5 / 12 ARG A 520
ALA A  61
ASP A  60
ALA A  82
PHE A  97
 None
None
None
None
KCX  A 167 ( 4.5A)
 1.03A 3axtA-2fvmA:
2.5		 3axtA-2fvmA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)		 3dc8 DIHYDROPYRIMIDINASE
(Sinorhizobium
meliloti) 		5 / 11 VAL A 235
LEU A 178
ILE A 369
PRO A  55
THR A  57
 KCX  A 147 ( 4.9A)
KCX  A 147 ( 4.5A)
None
None
None
 1.37A 3bjwE-3dc8A:
undetectable		 3bjwE-3dc8A:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_E_SVRE503_1
(PHOSPHOLIPASE A2)		 4tqt D-HYDANTOINASE
(Brucella
suis) 		5 / 11 VAL A 239
LEU A 182
ILE A 373
PRO A  60
THR A  62
 None
KCX  A 151 ( 4.4A)
None
None
None
 1.37A 3bjwE-4tqtA:
undetectable		 3bjwE-4tqtA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CAJ_A_EZLA265_1
(CARBONIC ANHYDRASE 2)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 10 HIS A 285
HIS A 321
HIS A 287
PHE A 228
THR A 391
 KCX  A 191 ( 3.7A)
KCX  A 191 ( 3.5A)
KCX  A 191 ( 4.0A)
KCX  A 191 ( 4.5A)
KCX  A 191 ( 2.9A)
 1.22A 3cajA-5c2cA:
undetectable		 3cajA-5c2cA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CKZ_A_ZMRA469_2
(NEURAMINIDASE)		 5oyn DEHYDRATASE,
ILVD/EDD FAMILY
(Caulobacter
vibrioides) 		4 / 6 ASP A 129
ARG A 488
ILE A  90
SER A  58
 MG  A 601 (-2.9A)
KCX  A 130 ( 3.7A)
KCX  A 130 ( 4.5A)
None
 1.24A 3ckzA-5oynA:
undetectable		 3ckzA-5oynA:
11.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAZ_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 10 HIS A 285
HIS A 321
HIS A 287
PHE A 228
THR A 391
 KCX  A 191 ( 3.7A)
KCX  A 191 ( 3.5A)
KCX  A 191 ( 4.0A)
KCX  A 191 ( 4.5A)
KCX  A 191 ( 2.9A)
 1.18A 3dazA-5c2cA:
undetectable		 3dazA-5c2cA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCS_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 10 HIS A 285
HIS A 321
HIS A 287
PHE A 228
THR A 391
 KCX  A 191 ( 3.7A)
KCX  A 191 ( 3.5A)
KCX  A 191 ( 4.0A)
KCX  A 191 ( 4.5A)
KCX  A 191 ( 2.9A)
 1.19A 3dcsA-5c2cA:
undetectable		 3dcsA-5c2cA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DZY_D_BRLD478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		4 / 4 ILE B 220
GLN B 244
ILE B 172
LEU B 296
 KCX  B 219 ( 3.8A)
None
KCX  B 219 ( 4.4A)
None
 0.98A 3dzyD-1e9yB:
0.0		 3dzyD-1e9yB:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EBZ_B_017B201_1
(PROTEASE)		 1w78 FOLC BIFUNCTIONAL
PROTEIN
(Escherichia
coli) 		5 / 11 ASP A 172
ILE A 184
GLY A 151
ILE A 191
ILE A 169
 MG  A1422 ( 4.8A)
KCX  A 188 ( 4.9A)
KCX  A 188 ( 4.1A)
KCX  A 188 ( 3.9A)
None
 1.04A 3ebzA-1w78A:
0.0		 3ebzA-1w78A:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEO_A_SAMA328_0
(MODIFICATION
METHYLASE HHAI)		 6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN
(Skeletonema
marinoi) 		5 / 12 LEU A 204
GLY A 241
ASP A 207
ILE A 271
LEU A 296
 KCX  A 205 ( 3.9A)
None
MG  A 500 ( 2.7A)
None
None
 1.15A 3eeoA-6ftlA:
undetectable		 3eeoA-6ftlA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EIG_A_MTXA200_2
(DIHYDROFOLATE
REDUCTASE)		 1eyw PHOSPHOTRIESTERASE
(Brevundimonas
diminuta) 		4 / 5 ASP A 253
ILE A 228
VAL A 198
THR A 103
 None
None
None
KCX  A 169 ( 4.3A)
 0.83A 3eigA-1eywA:
undetectable		 3eigA-1eywA:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKY_A_DR7A100_2
(PROTEASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 9 ASP B 362
ILE B 137
GLY B 159
ILE B 172
ILE B 140
 HAE  B 800 ( 2.5A)
None
None
KCX  B 219 ( 4.4A)
None
 1.27A 3ekyB-1e9yB:
undetectable		 3ekyB-1e9yB:
11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL0_A_1UNA201_1
(PROTEASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		4 / 8 GLY C 226
ALA C 227
ASP C 251
ILE C 221
 None
None
None
KCX  C 220 ( 4.2A)
 0.64A 3el0A-5fseC:
undetectable		 3el0A-5fseC:
10.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		4 / 7 GLY A 843
VAL A 591
LEU A 619
ARG A 621
 None
None
KCX  A 718 (-4.8A)
PYR  A1101 (-4.0A)
 0.91A 3elzA-4jx6A:
undetectable		 3elzA-4jx6A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 LEU A 227
ASP A 252
LEU A 103
LEU A 133
PHE A 339
 None
None
KCX  A 162 ( 4.2A)
KCX  A 162 ( 4.2A)
None
 1.23A 3glqA-1pojA:
undetectable		 3glqA-1pojA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_B_486B1_2
(GLUCOCORTICOID
RECEPTOR)		 1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE
(Paenarthrobacter
aurescens) 		5 / 12 GLY A 125
GLY A 126
LEU A 103
CYH A 176
ILE A 169
 None
KCX  A 147 ( 3.7A)
None
None
None
 1.02A 3h52B-1gkrA:
undetectable		 3h52B-1gkrA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HLW_B_CE3B302_1
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		5 / 12 SER A 112
LYS A 208
THR A 209
GLY A 210
GLY A 212
 KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
 0.23A 3hlwB-4gn2A:
18.0		 3hlwB-4gn2A:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HS4_A_AZMA701_1
(CARBONIC ANHYDRASE 2)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 11 HIS A 286
HIS A 322
HIS A 288
PHE A 229
THR A 392
 KCX  A 192 ( 3.5A)
KCX  A 192 (-3.8A)
CAP  A 500 (-3.9A)
KCX  A 192 ( 4.3A)
KCX  A 192 ( 3.1A)
 1.10A 3hs4A-5hqlA:
undetectable		 3hs4A-5hqlA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J7Z_A_ERYA9000_0
(23S RRNA
50S RIBOSOMAL
PROTEIN L22
ERMCL NASCENT CHAIN)		 4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 LYS A 406
ILE A 147
PHE A 148
 None
KCX  A 175 ( 3.9A)
None
 0.94A 3j7zS-4nasA:
undetectable
3j7za-4nasA:
undetectable		 3j7zS-4nasA:
14.82
3j7za-4nasA:
3.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2qf7 PYRUVATE CARBOXYLASE
PROTEIN
(Rhizobium
etli) 		4 / 5 SER A 826
ARG A 548
GLY A 550
GLU A 582
 None
KCX  A 718 ( 3.6A)
None
None
 1.34A 3k9fA-2qf7A:
undetectable
3k9fB-2qf7A:
undetectable
3k9fC-2qf7A:
undetectable		 3k9fA-2qf7A:
18.66
3k9fB-2qf7A:
18.66
3k9fC-2qf7A:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 5j84 DIHYDROXY-ACID
DEHYDRATASE
(Rhizobium
leguminosarum) 		4 / 8 ASN A 278
LEU A 284
ALA A 557
HIS A 490
 KCX  A 129 ( 3.9A)
None
None
None
 0.96A 3kp6A-5j84A:
undetectable		 3kp6A-5j84A:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVR_A_URFA2001_1
(URIDINE
PHOSPHORYLASE)		 3s46 ALANINE RACEMASE
(Streptococcus
pneumoniae) 		5 / 10 PHE A 139
GLU A 146
LEU A 151
LEU A 152
ILE A 111
 KCX  A 129 ( 4.5A)
None
None
None
None
 0.91A 3kvrA-3s46A:
undetectable		 3kvrA-3s46A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVR_B_URFB2011_1
(URIDINE
PHOSPHORYLASE)		 3s46 ALANINE RACEMASE
(Streptococcus
pneumoniae) 		5 / 10 PHE A 139
GLU A 146
LEU A 151
LEU A 152
ILE A 111
 KCX  A 129 ( 4.5A)
None
None
None
None
 0.86A 3kvrB-3s46A:
undetectable		 3kvrB-3s46A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 2z2b DIHYDROOROTASE
(Escherichia
coli) 		4 / 7 LEU A 116
LEU A  80
SER A  83
THR A  50
 None
KCX  A 102 ( 3.8A)
None
None
 0.83A 3lm8A-2z2bA:
undetectable
3lm8C-2z2bA:
undetectable		 3lm8A-2z2bA:
23.58
3lm8C-2z2bA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3jze DIHYDROOROTASE
(Salmonella
enterica) 		4 / 7 LEU A 127
LEU A  81
SER A  84
THR A  51
 None
KCX  A 103 ( 3.7A)
None
None
 0.92A 3lm8A-3jzeA:
undetectable
3lm8C-3jzeA:
undetectable		 3lm8A-3jzeA:
21.45
3lm8C-3jzeA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.00A 3ln1C-4c13A:
undetectable		 3ln1C-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		5 / 9 LEU A 193
PHE A 195
LEU A 151
ILE A  92
ALA A  90
 None
None
None
None
KCX  A  86 ( 3.3A)
 0.88A 3mdvA-4oh0A:
undetectable		 3mdvA-4oh0A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		5 / 9 LEU A 193
PHE A 195
LEU A 151
ILE A  92
ALA A  90
 None
None
None
None
KCX  A  86 ( 3.4A)
 0.83A 3mdvA-5bohA:
undetectable		 3mdvA-5bohA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		5 / 12 LEU A 193
PHE A 195
LEU A 151
ILE A  92
ALA A  90
 None
None
None
None
KCX  A  86 ( 3.4A)
 0.84A 3mdvB-5bohA:
undetectable		 3mdvB-5bohA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N23_A_OBNA1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3orw PHOSPHOTRIESTERASE
(Geobacillus
kaustophilus) 		5 / 11 ALA A 167
PHE A 109
THR A  96
ILE A 144
ARG A 112
 None
None
None
KCX  A 145 ( 4.1A)
None
 1.28A 3n23A-3orwA:
undetectable		 3n23A-3orwA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 ASP A 252
LEU A 103
LEU A 133
GLY A 160
PHE A 339
 None
KCX  A 162 ( 4.2A)
KCX  A 162 ( 4.2A)
None
None
 1.35A 3n58A-1pojA:
undetectable		 3n58A-1pojA:
25.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.87A 3n8wA-4c13A:
undetectable		 3n8wA-4c13A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.04A 3n8xA-4c13A:
undetectable		 3n8xA-4c13A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 11 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.10A 3n8yA-4c13A:
undetectable		 3n8yA-4c13A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.94A 3n8zA-4c13A:
undetectable		 3n8zA-4c13A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.92A 3n8zB-4c13A:
undetectable		 3n8zB-4c13A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDX_A_RITA100_1
(PROTEASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 12 GLY C 226
ALA C 227
ASP C 251
VAL C 246
ILE C 221
 None
None
None
None
KCX  C 220 ( 4.2A)
 1.08A 3ndxA-5fseC:
undetectable		 3ndxA-5fseC:
10.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.94A 3nt1A-4c13A:
undetectable		 3nt1A-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NT1_B_NPSB4_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.94A 3nt1B-4c13A:
undetectable		 3nt1B-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		 4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE
(Thermus
thermophilus) 		5 / 9 LEU A 287
THR A 258
ARG A 216
LEU A 211
GLY A 254
 None
KCX  A 108 ( 4.2A)
None
None
None
 1.32A 3nxuB-4s38A:
undetectable		 3nxuB-4s38A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 SER A  67
SER A 115
ARG A 244
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 (-2.6A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
 0.74A 3ny4A-1k38A:
18.9		 3ny4A-1k38A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 SER C  72
SER C 120
ARG C 249
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
None
KCX  C  75 ( 4.4A)
None
None
 0.85A 3ny4A-3if6C:
18.4		 3ny4A-3if6C:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 SER A  67
SER A 115
ARG A 250
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.81A 3ny4A-3qnbA:
18.7		 3ny4A-3qnbA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.47A 3ny4A-4gn2A:
17.4		 3ny4A-4gn2A:
27.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		7 / 12 SER A  57
SER A 106
ARG A 239
LYS A 196
THR A 197
GLY A 198
ASP A 202
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
None
KCX  A  60 ( 4.5A)
None
None
None
 1.07A 3ny4A-4iedA:
19.0		 3ny4A-4iedA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 SER A  79
SER A 126
ARG A 259
LYS A 216
THR A 217
GLY A 218
ASP A 222
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
None
 0.88A 3ny4A-4k0xA:
19.1		 3ny4A-4k0xA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.45A 3ny4A-5ctmA:
17.9		 3ny4A-5ctmA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
ASP A 224
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
 0.93A 3ny4A-5iy2A:
19.2		 3ny4A-5iy2A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
GLY A 222
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
 0.84A 3ny4A-5iy2A:
19.2		 3ny4A-5iy2A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
ASP A 223
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.94A 3ny4A-5kzhA:
19.5		 3ny4A-5kzhA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.88A 3ny4A-5kzhA:
19.5		 3ny4A-5kzhA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OKX_A_SAMA201_1
(YAEB-LIKE PROTEIN
RPA0152)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		4 / 5 HIS C  78
SER C  72
ARG C 216
ASP C 161
 None
KCX  C  75 ( 2.7A)
None
None
 1.48A 3okxA-3if6C:
0.0		 3okxA-3if6C:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OKX_B_SAMB201_2
(YAEB-LIKE PROTEIN
RPA0152)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		4 / 5 HIS C  78
SER C  72
ARG C 216
ASP C 161
 None
KCX  C  75 ( 2.7A)
None
None
 1.48A 3okxB-3if6C:
0.0		 3okxB-3if6C:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 ASP A 252
THR A 254
ASP A  66
LEU A 103
GLY A 102
 None
None
None
KCX  A 162 ( 4.2A)
None
 1.25A 3ondA-1pojA:
undetectable		 3ondA-1pojA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 ASP A 252
THR A 254
ASP A  66
LEU A 103
GLY A 102
 None
None
None
KCX  A 162 ( 4.2A)
None
 1.27A 3ondB-1pojA:
undetectable		 3ondB-1pojA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_A_478A200_1
(HIV-1 PROTEASE)		 5w3w ARYLDIALKYLPHOSPHATA
SE
(Sulfolobus
solfataricus) 		4 / 6 GLU A  30
PRO A  67
ARG A  74
GLY A  73
 None
KCX  A 137 ( 4.6A)
None
None
 1.14A 3oxvA-5w3wA:
undetectable		 3oxvA-5w3wA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.02A 3pghA-4c13A:
undetectable		 3pghA-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_C_FLPC701_1
(CYCLOOXYGENASE-2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.01A 3pghC-4c13A:
undetectable		 3pghC-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.02A 3pghD-4c13A:
undetectable		 3pghD-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9T_B_BEZB264_0
(ECHA1_1)		 5oyn DEHYDRATASE,
ILVD/EDD FAMILY
(Caulobacter
vibrioides) 		4 / 7 GLU A  92
GLU A 463
ALA A 100
ALA A  99
 KCX  A 130 (-2.5A)
MG  A 601 (-2.6A)
KCX  A 130 ( 3.9A)
KCX  A 130 ( 4.1A)
 0.91A 3r9tB-5oynA:
undetectable		 3r9tB-5oynA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		4 / 8 PHE A  80
ILE A 182
TYR A 111
LEU A 114
 None
None
KCX  A  60 ( 3.8A)
None
 0.79A 3rqwI-4iedA:
undetectable
3rqwJ-4iedA:
undetectable		 3rqwI-4iedA:
22.45
3rqwJ-4iedA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RR3_A_FLRA700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.95A 3rr3A-4c13A:
undetectable		 3rr3A-4c13A:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RR3_B_FLRB700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.96A 3rr3B-4c13A:
undetectable		 3rr3B-4c13A:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RV5_A_DXCA91_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD
(Lactobacillus
paracasei) 		3 / 3 PHE A 314
GLN A 225
PHE A  94
 None
KCX  A 166 ( 4.9A)
None
 0.83A 3rv5A-2qpxA:
0.0		 3rv5A-2qpxA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RV5_D_DXCD92_0
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE
(Thermus
thermophilus) 		4 / 5 VAL A  59
GLU A 232
LYS A 109
PHE A  88
 None
None
KCX  A 108 ( 3.3A)
None
 1.40A 3rv5C-4s38A:
undetectable
3rv5D-4s38A:
undetectable		 3rv5C-4s38A:
11.19
3rv5D-4s38A:
11.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S53_A_017A201_2
(PROTEASE)		 1w78 FOLC BIFUNCTIONAL
PROTEIN
(Escherichia
coli) 		5 / 11 ASP A 172
ILE A 184
GLY A 151
ILE A 191
ILE A 169
 MG  A1422 ( 4.8A)
KCX  A 188 ( 4.9A)
KCX  A 188 ( 4.1A)
KCX  A 188 ( 3.9A)
None
 1.00A 3s53B-1w78A:
undetectable		 3s53B-1w78A:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		7 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.62A 3sh8A-1k38A:
19.4		 3sh8A-1k38A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 ALA C  71
SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
None
 0.59A 3sh8A-3if6C:
19.0		 3sh8A-3if6C:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
SO4  A   4 (-3.4A)
 0.65A 3sh8A-3qnbA:
19.4		 3sh8A-3qnbA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		7 / 12 ALA A  56
SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.63A 3sh8A-4iedA:
19.8		 3sh8A-4iedA:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 ALA A  78
SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.52A 3sh8A-4k0xA:
19.6		 3sh8A-4k0xA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.46A 3sh8A-4oh0A:
18.5		 3sh8A-4oh0A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.51A 3sh8A-5bohA:
18.7		 3sh8A-5bohA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 ALA A  80
SER A  81
SER A 128
LYS A 218
GLY A 220
ARG A 261
 None
KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
GOL  A 301 (-3.1A)
 0.67A 3sh8A-5iy2A:
19.6		 3sh8A-5iy2A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  79
SER A  80
SER A 127
LYS A 217
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.60A 3sh8A-5kzhA:
19.8		 3sh8A-5kzhA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.63A 3sh8B-1k38A:
19.5		 3sh8B-1k38A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 ALA C  71
SER C  72
SER C 120
LYS C 210
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
 0.59A 3sh8B-3if6C:
19.1		 3sh8B-3if6C:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
None
SO4  A   4 (-3.4A)
 0.67A 3sh8B-3qnbA:
19.5		 3sh8B-3qnbA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 ALA A  56
SER A  57
SER A 106
LYS A 196
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
 0.62A 3sh8B-4iedA:
19.9		 3sh8B-4iedA:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  78
SER A  79
SER A 126
LYS A 216
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.50A 3sh8B-4k0xA:
19.7		 3sh8B-4k0xA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.47A 3sh8B-4oh0A:
18.7		 3sh8B-4oh0A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.50A 3sh8B-5bohA:
18.7		 3sh8B-5bohA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 ALA A  80
SER A  81
SER A 128
LYS A 218
GLY A 220
ARG A 261
 None
KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
GOL  A 301 (-3.1A)
 0.66A 3sh8B-5iy2A:
19.6		 3sh8B-5iy2A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SH8_B_CEDB1_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  79
SER A  80
SER A 127
LYS A 217
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.57A 3sh8B-5kzhA:
19.8		 3sh8B-5kzhA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		4 / 7 ASN A 144
ASP A 291
HIS A  77
HIS A 231
 None
ZN  A 418 (-2.5A)
KCX  A 175 (-3.3A)
ZN  A 419 (-3.6A)
 0.94A 3t01A-2ogjA:
undetectable		 3t01A-2ogjA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKD_A_CYZA266_2
(GLUTAMATE RECEPTOR 2)		 3la4 UREASE
(Canavalia
ensiformis) 		4 / 5 ILE A 481
SER A 471
LYS A 469
GLY A 468
 None
KCX  A 490 ( 4.2A)
None
None
 1.17A 3tkdB-3la4A:
undetectable		 3tkdB-3la4A:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKD_B_CYZB267_1
(GLUTAMATE RECEPTOR 2)		 3la4 UREASE
(Canavalia
ensiformis) 		4 / 5 ILE A 481
SER A 471
LYS A 469
GLY A 468
 None
KCX  A 490 ( 4.2A)
None
None
 1.17A 3tkdA-3la4A:
undetectable		 3tkdA-3la4A:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 10 GLY C 226
ALA C 227
ASP C 251
LEU C 219
ILE C 221
 None
None
None
KCX  C 220 ( 4.0A)
KCX  C 220 ( 4.2A)
 0.87A 3ttpA-5fseC:
undetectable		 3ttpA-5fseC:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 10 GLY C 226
ALA C 227
ASP C 251
LEU C 219
ILE C 221
 None
None
None
KCX  C 220 ( 4.0A)
KCX  C 220 ( 4.2A)
 0.85A 3ttpB-5fseC:
undetectable		 3ttpB-5fseC:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U88_A_CHDA611_0
(MENIN)		 1k1d D-HYDANTOINASE
(Geobacillus
stearothermophil
us) 		3 / 3 SER A 127
PHE A 159
LYS A 151
 None
None
KCX  A 150 ( 3.7A)
 0.86A 3u88A-1k1dA:
undetectable		 3u88A-1k1dA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_O_CLMO221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE
(Paenarthrobacter
aurescens) 		5 / 11 PHE A 158
SER A 148
VAL A 144
PHE A 372
VAL A 181
 None
KCX  A 147 ( 3.3A)
None
None
KCX  A 147 ( 4.7A)
 1.49A 3u9fM-1gkrA:
0.0
3u9fO-1gkrA:
0.0		 3u9fM-1gkrA:
18.48
3u9fO-1gkrA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UGR_A_IMNA2001_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 LEU A 103
HIS A  70
SER A 256
SER A 255
PHE A 307
 KCX  A 162 ( 4.2A)
ZN  A 601 ( 3.6A)
None
None
None
 1.27A 3ugrA-1pojA:
7.4		 3ugrA-1pojA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V2M_A_AZMA303_1
(CARBONIC ANHYDRASE 2)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 10 HIS A 286
HIS A 322
HIS A 288
PHE A 229
THR A 392
 KCX  A 192 ( 3.5A)
KCX  A 192 (-3.8A)
CAP  A 500 (-3.9A)
KCX  A 192 ( 4.3A)
KCX  A 192 ( 3.1A)
 1.11A 3v2mA-5hqlA:
undetectable		 3v2mA-5hqlA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VT7_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 3nwr A RUBISCO-LIKE
PROTEIN
(Paraburkholderia
fungorum) 		5 / 12 ARG A 153
SER A 373
VAL A 318
HIS A 317
HIS A 282
 None
None
None
KCX  A 195 ( 4.7A)
KCX  A 195 ( 4.6A)
 1.49A 3vt7A-3nwrA:
undetectable		 3vt7A-3nwrA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_A_CHDA1503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3pnu DIHYDROOROTASE
(Campylobacter
jejuni) 		4 / 8 ILE A  91
LEU A 128
VAL A 106
GLY A 105
 KCX  A  92 ( 4.0A)
None
None
None
 0.90A 3w1wA-3pnuA:
undetectable		 3w1wA-3pnuA:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZJQ_A_NCAA300_0
(PROTOGLOBIN)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		4 / 7 TYR A 153
VAL A 151
PHE A 181
PHE A  82
 None
None
None
KCX  A  83 ( 4.9A)
 0.95A 3zjqA-5kzhA:
undetectable		 3zjqA-5kzhA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZJQ_B_NCAB300_0
(PROTOGLOBIN)		 4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE
(Alicyclobacillus
acidocaldarius) 		4 / 7 TYR A 195
VAL A 174
PHE A 148
ILE A 202
 None
KCX  A 175 ( 3.0A)
None
None
 0.98A 3zjqB-4nasA:
undetectable		 3zjqB-4nasA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZJQ_B_NCAB300_0
(PROTOGLOBIN)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		4 / 7 TYR A 153
VAL A 151
PHE A 181
PHE A  82
 None
None
None
KCX  A  83 ( 4.9A)
 0.93A 3zjqB-5kzhA:
undetectable		 3zjqB-5kzhA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOF_A_HQEA200_1
(FLAVOREDOXIN)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		4 / 5 TYR A  96
VAL A 114
ARG A 122
HIS A 155
 None
KCX  A  66 ( 3.6A)
None
None
 1.45A 3zofA-4gn2A:
0.0		 3zofA-4gn2A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZQT_A_TESA1000_1
(ANDROGEN RECEPTOR)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		5 / 12 LEU A 109
MET A 157
MET A 146
THR A 114
MET A 166
 None
None
KCX  A 104 ( 4.6A)
None
None
 1.14A 3zqtA-5ctmA:
undetectable		 3zqtA-5ctmA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A84_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 1gkr NON-ATP DEPENDENT
L-SELECTIVE
HYDANTOINASE
(Paenarthrobacter
aurescens) 		5 / 12 VAL A 181
ILE A  91
ILE A  87
SER A 311
LEU A 238
 KCX  A 147 ( 4.7A)
None
None
None
KCX  A 147 ( 4.8A)
 1.33A 4a84A-1gkrA:
undetectable		 4a84A-1gkrA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3n2c PROLIDASE
(unidentified) 		4 / 8 ILE A 187
ILE A 215
VAL A 166
GLY A 171
 KCX  A 188 ( 3.6A)
None
None
None
 0.70A 4acaC-3n2cA:
3.3		 4acaC-3n2cA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACA_C_DXCC1478_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3pnu DIHYDROOROTASE
(Campylobacter
jejuni) 		4 / 7 GLY A  90
THR A  70
ILE A  88
PHE A  80
 None
KCX  A  92 ( 4.7A)
None
None
 0.95A 4acaC-3pnuA:
2.1		 4acaC-3pnuA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACB_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		 3n2c PROLIDASE
(unidentified) 		4 / 8 ILE A 187
ILE A 215
VAL A 166
GLY A 171
 KCX  A 188 ( 3.6A)
None
None
None
 0.77A 4acbC-3n2cA:
3.2		 4acbC-3n2cA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.96A 4coxA-4c13A:
undetectable		 4coxA-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.94A 4coxB-4c13A:
undetectable		 4coxB-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.94A 4coxC-4c13A:
undetectable		 4coxC-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.96A 4coxD-4c13A:
undetectable		 4coxD-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		 1vft ALANINE RACEMASE
(Streptomyces
lavendulae) 		4 / 4 LEU A 134
ILE A 206
GLY A 133
PHE A 169
 KCX  A 129 ( 4.4A)
None
None
None
 1.12A 4dc3A-1vftA:
undetectable		 4dc3A-1vftA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF2_A_4CHA506_0
(NADPH DEHYDROGENASE)		 3la4 UREASE
(Canavalia
ensiformis) 		4 / 6 THR A 467
HIS A 542
TYR A 544
TYR A 410
 KCX  A 490 ( 4.8A)
None
KCX  A 490 ( 4.5A)
None
 1.37A 4df2A-3la4A:
3.5		 4df2A-3la4A:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_C_URFC1301_1
(URIDINE
PHOSPHORYLASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		4 / 8 THR B 170
GLY B 159
ILE B 172
PRO B 174
 None
None
KCX  B 219 ( 4.4A)
None
 0.96A 4e1vC-1e9yB:
undetectable		 4e1vC-1e9yB:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_C_URFC1301_1
(URIDINE
PHOSPHORYLASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 169
GLY C 159
ILE C 171
PRO C 173
 None
None
KCX  C 218 ( 4.7A)
None
 0.83A 4e1vC-3qgkC:
undetectable		 4e1vC-3qgkC:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_D_URFD1301_1
(URIDINE
PHOSPHORYLASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		4 / 8 THR B 170
GLY B 159
ILE B 172
PRO B 174
 None
None
KCX  B 219 ( 4.4A)
None
 0.98A 4e1vD-1e9yB:
undetectable		 4e1vD-1e9yB:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_D_URFD1301_1
(URIDINE
PHOSPHORYLASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 169
GLY C 159
ILE C 171
PRO C 173
 None
None
KCX  C 218 ( 4.7A)
None
 0.82A 4e1vD-3qgkC:
undetectable		 4e1vD-3qgkC:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_E_URFE1301_1
(URIDINE
PHOSPHORYLASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 169
GLY C 159
ILE C 171
PRO C 173
 None
None
KCX  C 218 ( 4.7A)
None
 0.82A 4e1vE-3qgkC:
undetectable		 4e1vE-3qgkC:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_G_URFG1301_1
(URIDINE
PHOSPHORYLASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 169
GLY C 158
ILE C 171
PRO C 173
 None
None
KCX  C 218 ( 4.7A)
None
 0.93A 4e1vG-3qgkC:
undetectable		 4e1vG-3qgkC:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_H_URFH1301_1
(URIDINE
PHOSPHORYLASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		4 / 8 THR B 170
GLY B 159
ILE B 172
PRO B 174
 None
None
KCX  B 219 ( 4.4A)
None
 0.93A 4e1vH-1e9yB:
undetectable		 4e1vH-1e9yB:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_H_URFH1301_1
(URIDINE
PHOSPHORYLASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 169
GLY C 159
ILE C 171
PRO C 173
 None
None
KCX  C 218 ( 4.7A)
None
 0.81A 4e1vH-3qgkC:
undetectable		 4e1vH-3qgkC:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E7C_D_ACTD504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		3 / 3 GLY A 152
SER A 156
TRP A 157
 None
None
KCX  A  66 ( 4.2A)
 0.67A 4e7cD-4gn2A:
undetectable		 4e7cD-4gn2A:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN
(Listeria
monocytogenes) 		5 / 10 VAL A 135
ALA A 150
PHE A 328
VAL A 136
THR A  92
 None
None
None
None
KCX  A 154 ( 4.4A)
 1.48A 4eilD-3pnzA:
undetectable		 4eilD-3pnzA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 2fvm DIHYDROPYRIMIDINASE
(Lachancea
kluyveri) 		4 / 8 ASP A 358
PHE A 169
LEU A  72
HIS A  62
 ZN  A 601 ( 3.1A)
KCX  A 167 ( 4.2A)
URP  A 604 ( 4.9A)
ZN  A 601 (-3.2A)
 1.19A 4f5zA-2fvmA:
2.3		 4f5zA-2fvmA:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		5 / 10 SER C 120
LYS C 210
THR C 211
GLY C 212
ARG C 249
 KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
None
 0.80A 4fh2A-3if6C:
17.0		 4fh2A-3if6C:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 3qnb OXACILLINASE
(Escherichia
coli) 		5 / 10 SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 250
 KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
SO4  A   4 (-3.4A)
 0.73A 4fh2A-3qnbA:
18.5		 4fh2A-3qnbA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		5 / 10 SER A 106
LYS A 196
THR A 197
GLY A 198
ARG A 239
 KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.88A 4fh2A-4iedA:
18.6		 4fh2A-4iedA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE
(Escherichia
coli) 		4 / 5 HIS A 214
GLN A 190
GLY A 187
SER A 185
 None
UAG  A1498 (-2.8A)
None
KCX  A 224 ( 4.0A)
 1.17A 4fu8A-1e8cA:
undetectable		 4fu8A-1e8cA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GBO_A_CUA301_0
(E7)		 2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD
(Lactobacillus
paracasei) 		4 / 5 HIS A  17
ALA A 315
HIS A  16
GLN A 225
 ZN  A 376 (-3.3A)
None
None
KCX  A 166 ( 4.9A)
 1.08A 4gboA-2qpxA:
undetectable		 4gboA-2qpxA:
20.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4H9M_A_HAEA929_1
(UREASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 5 HIS B 136
HIS B 221
HIS B 248
HIS B 274
ASP B 362
 NI  B3002 (-3.5A)
KCX  B 219 (-4.0A)
NI  B3001 ( 3.4A)
NI  B3001 ( 3.5A)
HAE  B 800 ( 2.5A)
 0.29A 4h9mA-1e9yB:
58.1		 4h9mA-1e9yB:
40.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H9M_A_HAEA929_1
(UREASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		4 / 5 HIS A  77
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.83A 4h9mA-2ogjA:
19.8		 4h9mA-2ogjA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H9M_A_HAEA929_1
(UREASE)		 3ovg AMIDOHYDROLASE
(Mycoplasma
synoviae) 		5 / 5 HIS A  24
HIS A 100
HIS A 186
HIS A 214
ASP A 272
 ZN  A 362 (-3.6A)
KCX  A 153 ( 4.1A)
ZN  A 363 (-3.5A)
ZN  A 363 (-3.5A)
ZN  A 362 (-2.7A)
 0.90A 4h9mA-3ovgA:
4.8		 4h9mA-3ovgA:
19.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4H9M_A_HAEA929_1
(UREASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 5 HIS C 135
HIS C 220
HIS C 247
HIS C 273
ASP C 361
 FE  C 775 (-3.5A)
KCX  C 218 (-4.2A)
FE  C 774 (-3.4A)
FE  C 774 (-3.3A)
FE  C 775 (-2.5A)
 0.25A 4h9mA-3qgkC:
56.8		 4h9mA-3qgkC:
39.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4H9M_A_HAEA929_1
(UREASE)		 4g7e UREASE
(Cajanus
cajan) 		5 / 5 HIS B 407
HIS B 492
HIS B 519
HIS B 545
ASP B 633
 NI  B 901 (-3.3A)
KCX  B 490 ( 4.1A)
NI  B 902 (-3.2A)
NI  B 902 (-3.3A)
NI  B 901 (-2.6A)
 0.24A 4h9mA-4g7eB:
62.9		 4h9mA-4g7eB:
83.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4H9M_A_HAEA929_1
(UREASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 5 HIS C 137
HIS C 222
HIS C 249
HIS C 275
ASP C 363
 NI  C 601 ( 3.2A)
KCX  C 220 ( 4.1A)
NI  C 600 ( 3.2A)
NI  C 600 ( 3.3A)
NI  C 601 ( 2.6A)
 0.26A 4h9mA-5fseC:
63.0		 4h9mA-5fseC:
40.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HLW_A_TESA1001_1
(ANDROGEN RECEPTOR)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		5 / 12 LEU A 109
MET A 157
MET A 146
THR A 114
MET A 166
 None
None
KCX  A 104 ( 4.6A)
None
None
 1.17A 4hlwA-5ctmA:
undetectable		 4hlwA-5ctmA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IB4_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 LEU A 103
VAL A 199
VAL A  69
PHE A 339
LEU A 332
 KCX  A 162 ( 4.2A)
KCX  A 162 ( 4.7A)
None
None
None
 1.27A 4ib4A-1pojA:
undetectable		 4ib4A-1pojA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 ILE A 164
GLY A 369
GLY A 393
ILE A 367
HIS A 321
 KCX  A 191 ( 4.1A)
None
None
None
KCX  A 191 ( 3.5A)
 1.10A 4iv0B-5c2cA:
undetectable		 4iv0B-5c2cA:
24.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KMU_C_RFPC1401_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		5 / 12 GLN A 783
ASP A 719
HIS A 747
SER A 553
LEU A 554
 ZN  A1102 ( 4.7A)
None
KCX  A 718 (-3.2A)
None
None
 1.34A 4kmuC-4jx6A:
undetectable		 4kmuC-4jx6A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KMU_H_RFPH1401_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		5 / 12 GLN A 783
ASP A 719
HIS A 747
SER A 553
LEU A 554
 ZN  A1102 ( 4.7A)
None
KCX  A 718 (-3.2A)
None
None
 1.37A 4kmuH-4jx6A:
undetectable		 4kmuH-4jx6A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		 1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE
(Escherichia
coli) 		5 / 12 GLY A 111
ASN A 178
ILE A 201
TYR A 202
LEU A 278
 KCX  A 198 ( 3.9A)
None
KCX  A 198 ( 3.6A)
None
None
 1.23A 4kosA-1uagA:
undetectable		 4kosA-1uagA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)		 1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE
(Escherichia
coli) 		5 / 12 GLY A 111
ASN A 178
ILE A 201
TYR A 202
LEU A 278
 KCX  A 198 ( 3.9A)
None
KCX  A 198 ( 3.6A)
None
None
 1.17A 4kotA-1uagA:
0.0		 4kotA-1uagA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)		 1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE
(Escherichia
coli) 		5 / 12 GLY A 111
ASN A 178
ILE A 201
TYR A 202
LEU A 278
 KCX  A 198 ( 3.9A)
None
KCX  A 198 ( 3.6A)
None
None
 1.22A 4kovA-1uagA:
undetectable		 4kovA-1uagA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		 1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE
(Escherichia
coli) 		5 / 11 GLY A 111
ASN A 178
ILE A 201
TYR A 202
LEU A 278
 KCX  A 198 ( 3.9A)
None
KCX  A 198 ( 3.6A)
None
None
 1.17A 4koyA-1uagA:
0.0		 4koyA-1uagA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L7I_B_SAMB501_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		4 / 8 HIS C 275
ALA C 247
SER C 361
ASP C 363
 NI  C 600 ( 3.3A)
KCX  C 220 ( 4.0A)
None
NI  C 601 ( 2.6A)
 1.07A 4l7iB-5fseC:
undetectable		 4l7iB-5fseC:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_2
(DIHYDROFOLATE
REDUCTASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		3 / 3 TRP A 108
GLN A 100
THR A 103
 KCX  A  66 ( 4.1A)
None
None
 0.98A 4m2xA-4gn2A:
undetectable		 4m2xA-4gn2A:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM5_A_SREA603_1
(TRANSPORTER)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		5 / 9 PRO A  68
VAL A  71
ALA A  70
GLY A 135
PHE A 136
 KCX  A  66 ( 4.5A)
None
KCX  A  66 ( 3.5A)
None
None
 1.33A 4mm5A-4gn2A:
undetectable		 4mm5A-4gn2A:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 ILE A 164
GLY A 369
GLY A 393
ILE A 367
HIS A 321
 KCX  A 191 ( 4.1A)
None
None
None
KCX  A 191 ( 3.5A)
 1.10A 4mwzA-5c2cA:
undetectable		 4mwzA-5c2cA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		4 / 8 HIS A 286
HIS A 322
HIS A 288
THR A 392
 KCX  A 192 ( 3.5A)
KCX  A 192 (-3.8A)
CAP  A 500 (-3.9A)
KCX  A 192 ( 3.1A)
 0.91A 4n16A-5hqlA:
undetectable		 4n16A-5hqlA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)		 5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III
(Methanococcoides
burtonii) 		4 / 8 HIS A 286
HIS A 322
HIS A 288
THR A 422
 KCX  A 193 ( 4.3A)
CAP  A 501 (-4.0A)
CAP  A 501 (-3.8A)
KCX  A 193 ( 3.7A)
 0.81A 4n16A-5macA:
undetectable		 4n16A-5macA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		7 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.65A 4n9kA-1k38A:
19.3		 4n9kA-1k38A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 ALA C  71
SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
None
 0.62A 4n9kA-3if6C:
18.9		 4n9kA-3if6C:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
SO4  A   4 (-3.4A)
 0.69A 4n9kA-3qnbA:
19.3		 4n9kA-3qnbA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		7 / 12 ALA A  56
SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.63A 4n9kA-4iedA:
19.8		 4n9kA-4iedA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 ALA A  78
SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.55A 4n9kA-4k0xA:
19.5		 4n9kA-4k0xA:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.46A 4n9kA-4oh0A:
18.5		 4n9kA-4oh0A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.52A 4n9kA-5bohA:
18.6		 4n9kA-5bohA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 ALA A  80
SER A  81
SER A 128
LYS A 218
GLY A 220
ARG A 261
 None
KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
GOL  A 301 (-3.1A)
 0.71A 4n9kA-5iy2A:
19.4		 4n9kA-5iy2A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  79
SER A  80
SER A 127
LYS A 217
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.63A 4n9kA-5kzhA:
19.8		 4n9kA-5kzhA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		7 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.62A 4n9kB-1k38A:
19.3		 4n9kB-1k38A:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 ALA C  71
SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
None
 0.61A 4n9kB-3if6C:
18.9		 4n9kB-3if6C:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
SO4  A   4 (-3.4A)
 0.65A 4n9kB-3qnbA:
19.2		 4n9kB-3qnbA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		7 / 12 ALA A  56
SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.62A 4n9kB-4iedA:
19.7		 4n9kB-4iedA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 ALA A  78
SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.53A 4n9kB-4k0xA:
19.3		 4n9kB-4k0xA:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.46A 4n9kB-4oh0A:
18.5		 4n9kB-4oh0A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.49A 4n9kB-5bohA:
18.7		 4n9kB-5bohA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  79
SER A  80
SER A 127
LYS A 217
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.61A 4n9kB-5kzhA:
19.7		 4n9kB-5kzhA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OAD_A_CLMA206_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4rdy PARATHION HYDROLASE
(Vulcanisaeta
moutnovskia) 		4 / 4 ALA A 153
ALA A 156
ALA A 157
ALA A 160
 None
None
KCX  A 138 ( 3.7A)
None
 0.13A 4oadA-4rdyA:
undetectable		 4oadA-4rdyA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OAE_A_CLMA208_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4rdy PARATHION HYDROLASE
(Vulcanisaeta
moutnovskia) 		4 / 4 ALA A 153
ALA A 156
ALA A 157
ALA A 160
 None
None
KCX  A 138 ( 3.7A)
None
 0.10A 4oaeA-4rdyA:
undetectable		 4oaeA-4rdyA:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OJ4_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3e74 ALLANTOINASE
(Escherichia
coli) 		4 / 8 CYH A 241
LEU A 238
LEU A 228
VAL A 227
 KCX  A 146 ( 3.8A)
None
None
None
 0.90A 4oj4A-3e74A:
undetectable		 4oj4A-3e74A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 2z2b DIHYDROOROTASE
(Escherichia
coli) 		5 / 12 LEU A 127
LEU A 184
VAL A 235
MET A 151
ILE A 147
 KCX  A 102 ( 4.5A)
None
None
None
None
 1.10A 4ok1A-2z2bA:
undetectable		 4ok1A-2z2bA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLB_A_TRPA901_0
(PROTEIN ARGONAUTE-2)		 2fvm DIHYDROPYRIMIDINASE
(Lachancea
kluyveri) 		3 / 3 VAL A  63
ALA A  61
PHE A  97
 None
None
KCX  A 167 ( 4.5A)
 0.86A 4olbA-2fvmA:
undetectable		 4olbA-2fvmA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_A_GCSA303_1
(CHITOSANASE)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		4 / 6 ILE A 165
ASP A 194
GLY A 370
HIS A 288
 KCX  A 192 (-3.7A)
MG  A 501 ( 2.9A)
CAP  A 500 (-3.0A)
CAP  A 500 (-3.9A)
 0.88A 4oltA-5hqlA:
undetectable		 4oltA-5hqlA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_B_GCSB303_1
(CHITOSANASE)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		4 / 6 ILE A 165
ASP A 194
GLY A 370
HIS A 288
 KCX  A 192 (-3.7A)
MG  A 501 ( 2.9A)
CAP  A 500 (-3.0A)
CAP  A 500 (-3.9A)
 0.87A 4oltB-5hqlA:
undetectable		 4oltB-5hqlA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.09A 4otyB-4c13A:
undetectable		 4otyB-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM9_A_CE3A301_1
(BETA-LACTAMASE
CTX-M-14)		 3qnb OXACILLINASE
(Escherichia
coli) 		5 / 12 SER A 115
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.44A 4pm9A-3qnbA:
19.2		 4pm9A-3qnbA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 12 THR A 442
GLY A 468
HIS A 409
ASN A 517
SER A 634
 KCX  A 490 ( 3.4A)
None
NI  A 841 ( 3.3A)
None
None
 1.31A 4pooA-3la4A:
2.3		 4pooA-3la4A:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 4g7e UREASE
(Cajanus
cajan) 		5 / 12 THR B 442
GLY B 468
HIS B 409
ASN B 517
SER B 634
 KCX  B 490 ( 3.5A)
KCX  B 490 ( 4.9A)
NI  B 901 (-3.3A)
None
None
 1.31A 4pooA-4g7eB:
2.0		 4pooA-4g7eB:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 5vfd BETA-LACTAMASE
(Acinetobacter
baumannii) 		5 / 12 LEU A 168
VAL A 130
THR A  82
SER A 247
GLY A 234
 9CP  A 306 ( 4.6A)
KCX  A  84 (-3.8A)
None
None
None
 1.06A 4q15A-5vfdA:
undetectable		 4q15A-5vfdA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q5M_A_ROCA1101_1
(PROTEASE)		 4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  96
ILE A  27
VAL A  66
ILE A 205
THR A 148
 KCX  A 145 ( 3.4A)
None
None
None
None
 1.03A 4q5mA-4if2A:
undetectable		 4q5mA-4if2A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QDJ_A_SAMA301_0
(MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE)		 3mkv PUTATIVE
AMIDOHYDROLASE
(unidentified) 		5 / 12 GLY A 166
GLY A 107
SER A 130
LEU A 134
HIS A 140
 None
None
KCX  A 191 ( 3.9A)
KCX  A 191 ( 3.8A)
SO4  A 427 (-4.0A)
 1.04A 4qdjA-3mkvA:
undetectable		 4qdjA-3mkvA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qvlV-3la4A:
undetectable
4qvlb-3la4A:
undetectable		 4qvlV-3la4A:
15.16
4qvlb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 4qvlV-3qgkC:
undetectable
4qvlb-3qgkC:
undetectable		 4qvlV-3qgkC:
18.73
4qvlb-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qvlV-4g7eB:
undetectable
4qvlb-4g7eB:
undetectable		 4qvlV-4g7eB:
14.55
4qvlb-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qvlH-3la4A:
undetectable
4qvlN-3la4A:
undetectable		 4qvlH-3la4A:
15.16
4qvlN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.42A 4qvlH-3qgkC:
undetectable
4qvlN-3qgkC:
undetectable		 4qvlH-3qgkC:
18.73
4qvlN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qvlH-4g7eB:
undetectable
4qvlN-4g7eB:
undetectable		 4qvlH-4g7eB:
14.55
4qvlN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qvmV-3la4A:
undetectable
4qvmb-3la4A:
undetectable		 4qvmV-3la4A:
15.16
4qvmb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 4qvmV-3qgkC:
undetectable
4qvmb-3qgkC:
undetectable		 4qvmV-3qgkC:
18.73
4qvmb-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qvmV-4g7eB:
undetectable
4qvmb-4g7eB:
undetectable		 4qvmV-4g7eB:
14.55
4qvmb-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.48A 4qvmH-1e9yB:
undetectable
4qvmN-1e9yB:
undetectable		 4qvmH-1e9yB:
18.56
4qvmN-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qvmH-3la4A:
undetectable
4qvmN-3la4A:
undetectable		 4qvmH-3la4A:
15.16
4qvmN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qvmH-3qgkC:
undetectable
4qvmN-3qgkC:
undetectable		 4qvmH-3qgkC:
18.73
4qvmN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qvmH-4g7eB:
undetectable
4qvmN-4g7eB:
undetectable		 4qvmH-4g7eB:
14.55
4qvmN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.47A 4qvpV-1e9yB:
undetectable
4qvpb-1e9yB:
undetectable		 4qvpV-1e9yB:
18.56
4qvpb-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qvpV-3la4A:
undetectable
4qvpb-3la4A:
undetectable		 4qvpV-3la4A:
15.16
4qvpb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 4qvpV-3qgkC:
undetectable
4qvpb-3qgkC:
undetectable		 4qvpV-3qgkC:
18.73
4qvpb-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qvpV-4g7eB:
undetectable
4qvpb-4g7eB:
undetectable		 4qvpV-4g7eB:
14.55
4qvpb-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.47A 4qvpH-1e9yB:
undetectable
4qvpN-1e9yB:
undetectable		 4qvpH-1e9yB:
18.56
4qvpN-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qvpH-3la4A:
undetectable
4qvpN-3la4A:
undetectable		 4qvpH-3la4A:
15.16
4qvpN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 4qvpH-3qgkC:
undetectable
4qvpN-3qgkC:
undetectable		 4qvpH-3qgkC:
18.73
4qvpN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVP_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qvpH-4g7eB:
undetectable
4qvpN-4g7eB:
undetectable		 4qvpH-4g7eB:
14.55
4qvpN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.47A 4qvqV-1e9yB:
undetectable
4qvqb-1e9yB:
undetectable		 4qvqV-1e9yB:
18.56
4qvqb-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qvqV-3la4A:
undetectable
4qvqb-3la4A:
undetectable		 4qvqV-3la4A:
15.16
4qvqb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 4qvqV-3qgkC:
undetectable
4qvqb-3qgkC:
undetectable		 4qvqV-3qgkC:
18.73
4qvqb-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qvqV-4g7eB:
undetectable
4qvqb-4g7eB:
undetectable		 4qvqV-4g7eB:
14.55
4qvqb-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.48A 4qvqH-1e9yB:
undetectable
4qvqN-1e9yB:
undetectable		 4qvqH-1e9yB:
18.56
4qvqN-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qvqH-3la4A:
undetectable
4qvqN-3la4A:
undetectable		 4qvqH-3la4A:
15.16
4qvqN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 4qvqH-3qgkC:
undetectable
4qvqN-3qgkC:
undetectable		 4qvqH-3qgkC:
18.73
4qvqN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qvqH-4g7eB:
undetectable
4qvqN-4g7eB:
undetectable		 4qvqH-4g7eB:
14.55
4qvqN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 10 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.46A 4qvvV-3la4A:
0.0
4qvvb-3la4A:
undetectable		 4qvvV-3la4A:
15.16
4qvvb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 10 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 4qvvV-3qgkC:
0.0
4qvvb-3qgkC:
0.0		 4qvvV-3qgkC:
18.73
4qvvb-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 10 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.47A 4qvvV-4g7eB:
undetectable
4qvvb-4g7eB:
undetectable		 4qvvV-4g7eB:
14.55
4qvvb-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 10 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 4qvvH-3la4A:
0.0
4qvvN-3la4A:
0.0		 4qvvH-3la4A:
15.16
4qvvN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 10 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qvvH-3qgkC:
undetectable
4qvvN-3qgkC:
undetectable		 4qvvH-3qgkC:
18.73
4qvvN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 10 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 4qvvH-4g7eB:
undetectable
4qvvN-4g7eB:
undetectable		 4qvvH-4g7eB:
14.55
4qvvN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 4qvwV-3la4A:
undetectable
4qvwb-3la4A:
undetectable		 4qvwV-3la4A:
15.16
4qvwb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qvwV-3qgkC:
undetectable
4qvwb-3qgkC:
undetectable		 4qvwV-3qgkC:
18.73
4qvwb-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 4qvwV-4g7eB:
undetectable
4qvwb-4g7eB:
undetectable		 4qvwV-4g7eB:
14.55
4qvwb-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 4qvwH-3la4A:
undetectable
4qvwN-3la4A:
undetectable		 4qvwH-3la4A:
15.16
4qvwN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qvwH-3qgkC:
undetectable
4qvwN-3qgkC:
undetectable		 4qvwH-3qgkC:
18.73
4qvwN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 4qvwH-4g7eB:
undetectable
4qvwN-4g7eB:
undetectable		 4qvwH-4g7eB:
14.55
4qvwN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVY_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 4qvyH-4g7eB:
undetectable
4qvyN-4g7eB:
undetectable		 4qvyH-4g7eB:
14.55
4qvyN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW0_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qw0V-4g7eB:
undetectable
4qw0b-4g7eB:
undetectable		 4qw0V-4g7eB:
14.55
4qw0b-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 4qw0H-3la4A:
undetectable
4qw0N-3la4A:
undetectable		 4qw0H-3la4A:
15.16
4qw0N-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qw0H-3qgkC:
undetectable
4qw0N-3qgkC:
undetectable		 4qw0H-3qgkC:
18.73
4qw0N-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW0_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 4qw0H-4g7eB:
undetectable
4qw0N-4g7eB:
undetectable		 4qw0H-4g7eB:
14.55
4qw0N-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.47A 4qw1V-1e9yB:
undetectable
4qw1b-1e9yB:
undetectable		 4qw1V-1e9yB:
18.56
4qw1b-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 4qw1V-3la4A:
undetectable
4qw1b-3la4A:
undetectable		 4qw1V-3la4A:
15.16
4qw1b-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qw1V-3qgkC:
undetectable
4qw1b-3qgkC:
undetectable		 4qw1V-3qgkC:
18.73
4qw1b-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.44A 4qw1V-4g7eB:
undetectable
4qw1b-4g7eB:
undetectable		 4qw1V-4g7eB:
14.55
4qw1b-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.48A 4qw1H-1e9yB:
undetectable
4qw1N-1e9yB:
undetectable		 4qw1H-1e9yB:
18.56
4qw1N-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qw1H-3la4A:
undetectable
4qw1N-3la4A:
undetectable		 4qw1H-3la4A:
15.16
4qw1N-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 4qw1H-3qgkC:
undetectable
4qw1N-3qgkC:
undetectable		 4qw1H-3qgkC:
18.73
4qw1N-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 4qw1H-4g7eB:
undetectable
4qw1N-4g7eB:
undetectable		 4qw1H-4g7eB:
14.55
4qw1N-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.47A 4qw3V-1e9yB:
undetectable
4qw3b-1e9yB:
undetectable		 4qw3V-1e9yB:
18.56
4qw3b-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 4qw3V-3la4A:
undetectable
4qw3b-3la4A:
undetectable		 4qw3V-3la4A:
15.16
4qw3b-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qw3V-3qgkC:
undetectable
4qw3b-3qgkC:
undetectable		 4qw3V-3qgkC:
18.73
4qw3b-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 4qw3V-4g7eB:
undetectable
4qw3b-4g7eB:
undetectable		 4qw3V-4g7eB:
14.55
4qw3b-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.47A 4qw3H-1e9yB:
undetectable
4qw3N-1e9yB:
undetectable		 4qw3H-1e9yB:
18.56
4qw3N-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 4qw3H-3la4A:
undetectable
4qw3N-3la4A:
undetectable		 4qw3H-3la4A:
15.16
4qw3N-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qw3H-3qgkC:
undetectable
4qw3N-3qgkC:
undetectable		 4qw3H-3qgkC:
18.73
4qw3N-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 4qw3H-4g7eB:
undetectable
4qw3N-4g7eB:
undetectable		 4qw3H-4g7eB:
14.55
4qw3N-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.45A 4qwuV-1e9yB:
undetectable
4qwub-1e9yB:
undetectable		 4qwuV-1e9yB:
18.56
4qwub-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.42A 4qwuV-3la4A:
undetectable
4qwub-3la4A:
undetectable		 4qwuV-3la4A:
15.16
4qwub-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.39A 4qwuV-3qgkC:
undetectable
4qwub-3qgkC:
undetectable		 4qwuV-3qgkC:
18.73
4qwub-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.43A 4qwuV-4g7eB:
undetectable
4qwub-4g7eB:
undetectable		 4qwuV-4g7eB:
14.55
4qwub-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.46A 4qwuH-1e9yB:
undetectable
4qwuN-1e9yB:
undetectable		 4qwuH-1e9yB:
18.56
4qwuN-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.43A 4qwuH-3la4A:
undetectable
4qwuN-3la4A:
undetectable		 4qwuH-3la4A:
15.16
4qwuN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 4qwuH-3qgkC:
undetectable
4qwuN-3qgkC:
undetectable		 4qwuH-3qgkC:
18.73
4qwuN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.44A 4qwuH-4g7eB:
undetectable
4qwuN-4g7eB:
undetectable		 4qwuH-4g7eB:
14.55
4qwuN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 12 ALA A 155
ALA A 136
ILE A 176
ASN A  96
GLY A  90
 KCX  A 154 ( 3.4A)
None
None
None
KCX  A 154 ( 3.6A)
 1.25A 4r38B-2icsA:
undetectable		 4r38B-2icsA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 HIS A 285
ILE A 366
HIS A 321
ALA A 289
ILE A 164
 KCX  A 191 ( 3.7A)
None
KCX  A 191 ( 3.5A)
None
KCX  A 191 ( 4.1A)
 1.15A 4rp8C-5c2cA:
undetectable		 4rp8C-5c2cA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 LEU A 146
THR A 391
ILE A 366
HIS A 285
ALA A 259
 None
KCX  A 191 ( 2.9A)
None
KCX  A 191 ( 3.7A)
None
 1.25A 4rp8C-5c2cA:
undetectable		 4rp8C-5c2cA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 LEU A 261
ILE A 366
HIS A 321
ALA A 289
ILE A 164
 KCX  A 191 ( 4.4A)
None
KCX  A 191 ( 3.5A)
None
KCX  A 191 ( 4.1A)
 1.24A 4rp8C-5c2cA:
undetectable		 4rp8C-5c2cA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 147
THR A 392
ILE A 367
HIS A 286
ALA A 260
 None
KCX  A 192 ( 3.1A)
None
KCX  A 192 ( 3.5A)
None
 1.18A 4rp8C-5hqlA:
undetectable		 4rp8C-5hqlA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 262
ILE A 367
HIS A 322
ALA A 290
ILE A 165
 KCX  A 192 ( 4.1A)
None
KCX  A 192 (-3.8A)
None
KCX  A 192 (-3.7A)
 1.25A 4rp8C-5hqlA:
undetectable		 4rp8C-5hqlA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III
(Methanococcoides
burtonii) 		5 / 12 LEU A 262
THR A 422
ILE A 397
HIS A 322
ILE A 165
 None
KCX  A 193 ( 3.7A)
None
CAP  A 501 (-4.0A)
CAP  A 501 (-3.7A)
 1.19A 4rp8C-5macA:
undetectable		 4rp8C-5macA:
23.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.06A 4rrwA-4c13A:
undetectable		 4rrwA-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.05A 4rrwB-4c13A:
undetectable		 4rrwB-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.07A 4rrwC-4c13A:
undetectable		 4rrwC-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.06A 4rrwD-4c13A:
undetectable		 4rrwD-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.06A 4rrzA-4c13A:
undetectable		 4rrzA-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.05A 4rrzB-4c13A:
undetectable		 4rrzB-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.07A 4rrzC-4c13A:
undetectable		 4rrzC-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.06A 4rrzD-4c13A:
undetectable		 4rrzD-4c13A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RUJ_A_VDXA501_1
(VITAMIN D3 RECEPTOR
A)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 12 VAL C 246
ILE C 271
SER C 273
SER C 299
HIS C 201
 None
None
None
None
KCX  C 220 ( 4.6A)
 1.33A 4rujA-5fseC:
undetectable		 4rujA-5fseC:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVD_A_SAMA502_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 2qf7 PYRUVATE CARBOXYLASE
PROTEIN
(Rhizobium
etli) 		5 / 12 ILE A 681
ALA A 728
HIS A 747
VAL A 717
ILE A 744
 None
None
ZN  A1157 (-3.3A)
KCX  A 718 ( 3.1A)
None
 1.11A 4rvdA-2qf7A:
3.4		 4rvdA-2qf7A:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVG_A_SAMA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 12 THR C 171
ILE C 208
GLY C 200
ALA C 247
ILE C 212
 None
None
KCX  C 220 ( 3.2A)
KCX  C 220 ( 4.0A)
None
 1.03A 4rvgA-5fseC:
undetectable		 4rvgA-5fseC:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TXN_A_URFA302_1
(URIDINE
PHOSPHORYLASE)		 3n2c PROLIDASE
(unidentified) 		5 / 7 GLY A 131
GLN A 186
MET A 227
ALA A 109
ILE A 127
 None
None
KCX  A 188 ( 4.5A)
None
None
 1.44A 4txnA-3n2cA:
undetectable		 4txnA-3n2cA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TXN_B_URFB302_1
(URIDINE
PHOSPHORYLASE)		 3n2c PROLIDASE
(unidentified) 		5 / 7 GLY A 131
GLN A 186
MET A 227
ALA A 109
ILE A 127
 None
None
KCX  A 188 ( 4.5A)
None
None
 1.45A 4txnB-3n2cA:
undetectable		 4txnB-3n2cA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TXN_C_URFC302_1
(URIDINE
PHOSPHORYLASE)		 3n2c PROLIDASE
(unidentified) 		5 / 7 GLY A 131
GLN A 186
MET A 227
ALA A 109
ILE A 127
 None
None
KCX  A 188 ( 4.5A)
None
None
 1.45A 4txnC-3n2cA:
undetectable		 4txnC-3n2cA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TXN_D_URFD302_1
(URIDINE
PHOSPHORYLASE)		 3n2c PROLIDASE
(unidentified) 		5 / 7 GLY A 131
GLN A 186
MET A 227
ALA A 109
ILE A 127
 None
None
KCX  A 188 ( 4.5A)
None
None
 1.45A 4txnD-3n2cA:
undetectable		 4txnD-3n2cA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U15_A_0HKA2001_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		3 / 3 ASN A  75
PHE A  80
TYR A 111
 None
None
KCX  A  60 ( 3.8A)
 0.85A 4u15A-4iedA:
undetectable		 4u15A-4iedA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U8V_B_MIYB1103_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 12 GLY C 200
ASP C 233
ILE C 232
ALA C 227
ARG C 269
 KCX  C 220 ( 3.2A)
None
None
None
None
 1.10A 4u8vB-5fseC:
undetectable		 4u8vB-5fseC:
20.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		6 / 6 HIS B 136
HIS B 138
HIS B 221
HIS B 248
HIS B 274
ASP B 362
 NI  B3002 (-3.5A)
NI  B3002 (-3.3A)
KCX  B 219 (-4.0A)
NI  B3001 ( 3.4A)
NI  B3001 ( 3.5A)
HAE  B 800 ( 2.5A)
 0.27A 4ubpC-1e9yB:
51.0		 4ubpC-1e9yB:
61.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 6 HIS A  77
HIS A  79
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 418 (-3.4A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.71A 4ubpC-2ogjA:
18.5		 4ubpC-2ogjA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 3ovg AMIDOHYDROLASE
(Mycoplasma
synoviae) 		6 / 6 HIS A  24
HIS A  26
HIS A 100
HIS A 186
HIS A 214
ASP A 272
 ZN  A 362 (-3.6A)
ZN  A 362 (-3.5A)
KCX  A 153 ( 4.1A)
ZN  A 363 (-3.5A)
ZN  A 363 (-3.5A)
ZN  A 362 (-2.7A)
 0.85A 4ubpC-3ovgA:
2.9		 4ubpC-3ovgA:
21.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		6 / 6 HIS C 135
HIS C 137
HIS C 220
HIS C 247
HIS C 273
ASP C 361
 FE  C 775 (-3.5A)
FE  C 775 (-3.3A)
KCX  C 218 (-4.2A)
FE  C 774 (-3.4A)
FE  C 774 (-3.3A)
FE  C 775 (-2.5A)
 0.23A 4ubpC-3qgkC:
60.0		 4ubpC-3qgkC:
60.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 4g7e UREASE
(Cajanus
cajan) 		6 / 6 HIS B 407
HIS B 409
HIS B 492
HIS B 519
HIS B 545
ASP B 633
 NI  B 901 (-3.3A)
NI  B 901 (-3.3A)
KCX  B 490 ( 4.1A)
NI  B 902 (-3.2A)
NI  B 902 (-3.3A)
NI  B 901 (-2.6A)
 0.22A 4ubpC-4g7eB:
63.7		 4ubpC-4g7eB:
40.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		6 / 6 HIS C 137
HIS C 139
HIS C 222
HIS C 249
HIS C 275
ASP C 363
 NI  C 601 ( 3.2A)
NI  C 601 (-3.5A)
KCX  C 220 ( 4.1A)
NI  C 600 ( 3.2A)
NI  C 600 ( 3.3A)
NI  C 601 ( 2.6A)
 0.21A 4ubpC-5fseC:
75.7		 4ubpC-5fseC:
99.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		4 / 5 GLY C 226
THR C 228
HIS C 201
GLY C 202
 None
None
KCX  C 220 ( 4.6A)
None
 1.09A 4v20A-5fseC:
undetectable		 4v20A-5fseC:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5N_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 2fvm DIHYDROPYRIMIDINASE
(Lachancea
kluyveri) 		3 / 3 VAL A  63
ALA A  61
PHE A  97
 None
None
KCX  A 167 ( 4.5A)
 0.94A 4w5nA-2fvmA:
undetectable		 4w5nA-2fvmA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIW_B_AZMB402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		 5j84 DIHYDROXY-ACID
DEHYDRATASE
(Rhizobium
leguminosarum) 		5 / 12 LEU A 134
THR A 131
THR A 130
VAL A  86
PRO A  85
 None
None
KCX  A 129 ( 3.9A)
None
None
 0.93A 4xiwB-5j84A:
undetectable
4xiwE-5j84A:
undetectable		 4xiwB-5j84A:
18.29
4xiwE-5j84A:
18.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YVP_B_GBMB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 1epv ALANINE RACEMASE
(Geobacillus
stearothermophil
us) 		5 / 12 LEU A 128
VAL A 149
ILE A 152
HIS A 200
LEU A  83
 KCX  A 129 ( 3.6A)
None
None
None
None
 1.32A 4yvpB-1epvA:
5.6		 4yvpB-1epvA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4I_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 2fvm DIHYDROPYRIMIDINASE
(Lachancea
kluyveri) 		3 / 3 VAL A  63
ALA A  61
PHE A  97
 None
None
KCX  A 167 ( 4.5A)
 0.85A 4z4iA-2fvmA:
undetectable		 4z4iA-2fvmA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3pnu DIHYDROOROTASE
(Campylobacter
jejuni) 		4 / 8 THR A 117
LEU A 118
LEU A  93
LEU A 128
 None
None
KCX  A  92 ( 4.6A)
None
 0.63A 4z90F-3pnuA:
undetectable
4z90G-3pnuA:
undetectable
4z90H-3pnuA:
undetectable
4z90I-3pnuA:
undetectable
4z90J-3pnuA:
undetectable		 4z90F-3pnuA:
20.25
4z90G-3pnuA:
20.25
4z90H-3pnuA:
20.25
4z90I-3pnuA:
20.25
4z90J-3pnuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4lfy DIHYDROOROTASE
(Burkholderia
cenocepacia) 		4 / 8 THR A 140
LEU A 141
LEU A 118
LEU A 151
 None
None
KCX  A 117 ( 4.5A)
None
 0.64A 4z90F-4lfyA:
undetectable
4z90G-4lfyA:
undetectable
4z90H-4lfyA:
undetectable
4z90I-4lfyA:
undetectable
4z90J-4lfyA:
undetectable		 4z90F-4lfyA:
23.82
4z90G-4lfyA:
23.82
4z90H-4lfyA:
23.82
4z90I-4lfyA:
23.82
4z90J-4lfyA:
23.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3pnu DIHYDROOROTASE
(Campylobacter
jejuni) 		5 / 10 LEU A  93
LEU A 128
THR A 117
LEU A 118
LEU A 114
 KCX  A  92 ( 4.6A)
None
None
None
None
 0.95A 4z91A-3pnuA:
undetectable
4z91B-3pnuA:
undetectable
4z91C-3pnuA:
undetectable
4z91D-3pnuA:
undetectable
4z91E-3pnuA:
undetectable		 4z91A-3pnuA:
20.25
4z91B-3pnuA:
20.25
4z91C-3pnuA:
20.25
4z91D-3pnuA:
20.25
4z91E-3pnuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3pnu DIHYDROOROTASE
(Campylobacter
jejuni) 		5 / 10 LEU A  93
LEU A 128
THR A 117
LEU A 118
LEU A 114
 KCX  A  92 ( 4.6A)
None
None
None
None
 0.97A 4z91A-3pnuA:
undetectable
4z91B-3pnuA:
undetectable
4z91C-3pnuA:
undetectable
4z91D-3pnuA:
undetectable
4z91E-3pnuA:
undetectable		 4z91A-3pnuA:
20.25
4z91B-3pnuA:
20.25
4z91C-3pnuA:
20.25
4z91D-3pnuA:
20.25
4z91E-3pnuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3pnu DIHYDROOROTASE
(Campylobacter
jejuni) 		5 / 10 LEU A 114
LEU A  93
LEU A 128
THR A 117
LEU A 118
 None
KCX  A  92 ( 4.6A)
None
None
None
 0.94A 4z91A-3pnuA:
undetectable
4z91B-3pnuA:
undetectable
4z91C-3pnuA:
undetectable
4z91D-3pnuA:
undetectable
4z91E-3pnuA:
undetectable		 4z91A-3pnuA:
20.25
4z91B-3pnuA:
20.25
4z91C-3pnuA:
20.25
4z91D-3pnuA:
20.25
4z91E-3pnuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3pnu DIHYDROOROTASE
(Campylobacter
jejuni) 		5 / 10 LEU A 128
THR A 117
LEU A 118
LEU A 114
LEU A  93
 None
None
None
None
KCX  A  92 ( 4.6A)
 0.98A 4z91A-3pnuA:
undetectable
4z91B-3pnuA:
undetectable
4z91C-3pnuA:
undetectable
4z91D-3pnuA:
undetectable
4z91E-3pnuA:
undetectable		 4z91A-3pnuA:
20.25
4z91B-3pnuA:
20.25
4z91C-3pnuA:
20.25
4z91D-3pnuA:
20.25
4z91E-3pnuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3pnu DIHYDROOROTASE
(Campylobacter
jejuni) 		5 / 10 THR A 117
LEU A 118
LEU A 114
LEU A  93
LEU A 128
 None
None
None
KCX  A  92 ( 4.6A)
None
 0.96A 4z91A-3pnuA:
undetectable
4z91B-3pnuA:
undetectable
4z91C-3pnuA:
undetectable
4z91D-3pnuA:
undetectable
4z91E-3pnuA:
undetectable		 4z91A-3pnuA:
20.25
4z91B-3pnuA:
20.25
4z91C-3pnuA:
20.25
4z91D-3pnuA:
20.25
4z91E-3pnuA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.46A 5bxnV-3la4A:
undetectable
5bxnb-3la4A:
undetectable		 5bxnV-3la4A:
15.16
5bxnb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.44A 5bxnV-3qgkC:
undetectable
5bxnb-3qgkC:
undetectable		 5bxnV-3qgkC:
18.55
5bxnb-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.47A 5bxnV-4g7eB:
undetectable
5bxnb-4g7eB:
undetectable		 5bxnV-4g7eB:
14.55
5bxnb-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.48A 5bxnH-3la4A:
undetectable
5bxnN-3la4A:
undetectable		 5bxnH-3la4A:
15.16
5bxnN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.45A 5bxnH-3qgkC:
undetectable
5bxnN-3qgkC:
undetectable		 5bxnH-3qgkC:
18.55
5bxnN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.48A 5bxnH-4g7eB:
undetectable
5bxnN-4g7eB:
undetectable		 5bxnH-4g7eB:
14.55
5bxnN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE
(Thermus
thermophilus) 		4 / 6 SER A  52
GLU A  53
ARG A 110
GLY A  86
 None
None
None
KCX  A 108 ( 4.0A)
 0.87A 5cdnA-4s38A:
undetectable
5cdnB-4s38A:
undetectable		 5cdnA-4s38A:
23.06
5cdnB-4s38A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 1w78 FOLC BIFUNCTIONAL
PROTEIN
(Escherichia
coli) 		4 / 6 SER A  36
GLY A 190
ARG A 152
GLY A 151
 None
KCX  A 188 ( 4.1A)
None
KCX  A 188 ( 4.1A)
 0.90A 5cdnR-1w78A:
undetectable
5cdnS-1w78A:
undetectable		 5cdnR-1w78A:
23.83
5cdnS-1w78A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 9 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 5cz7V-3la4A:
0.0
5cz7b-3la4A:
0.0		 5cz7V-3la4A:
15.16
5cz7b-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 9 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 5cz7V-3qgkC:
0.0
5cz7b-3qgkC:
0.0		 5cz7V-3qgkC:
18.73
5cz7b-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 9 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 5cz7V-4g7eB:
undetectable
5cz7b-4g7eB:
undetectable		 5cz7V-4g7eB:
14.55
5cz7b-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.43A 5cz7H-3la4A:
undetectable
5cz7N-3la4A:
undetectable		 5cz7H-3la4A:
15.16
5cz7N-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.39A 5cz7H-3qgkC:
undetectable
5cz7N-3qgkC:
undetectable		 5cz7H-3qgkC:
18.73
5cz7N-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 5cz7H-4g7eB:
undetectable
5cz7N-4g7eB:
undetectable		 5cz7H-4g7eB:
14.55
5cz7N-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 5d0xV-3la4A:
undetectable
5d0xb-3la4A:
undetectable		 5d0xV-3la4A:
15.16
5d0xb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.39A 5d0xV-3qgkC:
undetectable
5d0xb-3qgkC:
undetectable		 5d0xV-3qgkC:
18.73
5d0xb-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 5d0xV-4g7eB:
undetectable
5d0xb-4g7eB:
undetectable		 5d0xV-4g7eB:
14.55
5d0xb-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 5d0xH-3la4A:
undetectable
5d0xN-3la4A:
undetectable		 5d0xH-3la4A:
15.16
5d0xN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 5d0xH-3qgkC:
undetectable
5d0xN-3qgkC:
undetectable		 5d0xH-3qgkC:
18.73
5d0xN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 5d0xH-4g7eB:
undetectable
5d0xN-4g7eB:
undetectable		 5d0xH-4g7eB:
14.55
5d0xN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_W_BEZW801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		4 / 5 PHE A 398
ILE A 191
GLY A 404
ILE A 166
 None
KCX  A 192 ( 3.8A)
None
KCX  A 192 ( 4.8A)
 0.80A 5dzkB-5hqlA:
2.2
5dzkI-5hqlA:
1.4
5dzkW-5hqlA:
undetectable		 5dzkB-5hqlA:
19.52
5dzkI-5hqlA:
18.45
5dzkW-5hqlA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_Y_BEZY801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		4 / 5 PHE A 398
ILE A 191
GLY A 404
ILE A 166
 None
KCX  A 192 ( 3.8A)
None
KCX  A 192 ( 4.8A)
 0.84A 5dzkd-5hqlA:
2.4
5dzkk-5hqlA:
1.4
5dzky-5hqlA:
undetectable		 5dzkd-5hqlA:
19.52
5dzkk-5hqlA:
18.45
5dzky-5hqlA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_Y_BEZY801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 5w3w ARYLDIALKYLPHOSPHATA
SE
(Sulfolobus
solfataricus) 		4 / 5 ILE A 167
GLY A 198
ILE A 138
LEU A 196
 None
None
KCX  A 137 ( 3.7A)
None
 0.93A 5dzkd-5w3wA:
2.3
5dzkk-5w3wA:
2.0
5dzky-5w3wA:
undetectable		 5dzkd-5w3wA:
undetectable
5dzkk-5w3wA:
undetectable
5dzky-5w3wA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 3dc8 DIHYDROPYRIMIDINASE
(Sinorhizobium
meliloti) 		5 / 12 HIS A 236
HIS A  56
PHE A  90
LEU A 156
TYR A 152
 ZN  A 501 (-3.4A)
ZN  A 502 (-3.3A)
KCX  A 147 ( 3.8A)
None
None
 1.39A 5eenB-3dc8A:
undetectable		 5eenB-3dc8A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 3sfw DIHYDROPYRIMIDINASE
(Brevibacillus
agri) 		5 / 12 HIS A 239
HIS A  58
PHE A  92
LEU A 159
TYR A 155
 ZN  A 501 (-3.4A)
ZN  A 502 (-3.3A)
KCX  A 150 ( 3.7A)
None
None
 1.48A 5eenB-3sfwA:
undetectable		 5eenB-3sfwA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 4tqt D-HYDANTOINASE
(Brucella
suis) 		5 / 12 HIS A 240
HIS A  61
PHE A  95
LEU A 160
TYR A 156
 ZN  A 502 (-3.5A)
ZN  A 501 (-3.4A)
KCX  A 151 ( 3.7A)
None
None
 1.39A 5eenB-4tqtA:
undetectable		 5eenB-4tqtA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 3dc8 DIHYDROPYRIMIDINASE
(Sinorhizobium
meliloti) 		5 / 12 HIS A 236
HIS A  56
PHE A  90
LEU A 156
TYR A 152
 ZN  A 501 (-3.4A)
ZN  A 502 (-3.3A)
KCX  A 147 ( 3.8A)
None
None
 1.45A 5ef8B-3dc8A:
undetectable		 5ef8B-3dc8A:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 4tqt D-HYDANTOINASE
(Brucella
suis) 		5 / 12 HIS A 240
HIS A  61
PHE A  95
LEU A 160
TYR A 156
 ZN  A 502 (-3.5A)
ZN  A 501 (-3.4A)
KCX  A 151 ( 3.7A)
None
None
 1.45A 5ef8B-4tqtA:
undetectable		 5ef8B-4tqtA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESH_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1pu7 3-METHYLADENINE DNA
GLYCOSYLASE
(Helicobacter
pylori) 		4 / 5 TYR A 140
LEU A  17
PRO A  21
LEU A 198
 None
KCX  A 205 ( 4.1A)
None
None
 1.47A 5eshA-1pu7A:
0.0		 5eshA-1pu7A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN
(Listeria
monocytogenes) 		4 / 6 GLY A  91
THR A  92
VAL A  64
HIS A  24
 None
KCX  A 154 ( 4.4A)
None
ZN  A 333 ( 3.3A)
 1.00A 5ewuA-3pnzA:
undetectable		 5ewuA-3pnzA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN
(Listeria
monocytogenes) 		4 / 6 GLY A  91
THR A  92
VAL A  64
HIS A  24
 None
KCX  A 154 ( 4.4A)
None
ZN  A 333 ( 3.3A)
 0.97A 5ewuB-3pnzA:
undetectable		 5ewuB-3pnzA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F1A_B_SALB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		4 / 7 TYR A 247
GLY A 216
ALA A 218
SER A 220
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
 0.91A 5f1aB-4c13A:
undetectable		 5f1aB-4c13A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		 5oyn DEHYDRATASE,
ILVD/EDD FAMILY
(Caulobacter
vibrioides) 		5 / 12 ALA A  99
LEU A 110
ILE A 144
PHE A  85
GLY A  49
 KCX  A 130 ( 4.1A)
None
None
None
None
 1.14A 5fsaA-5oynA:
undetectable		 5fsaA-5oynA:
9.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0P_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN
(Listeria
monocytogenes) 		4 / 7 ARG A   5
VAL A 153
PHE A 328
GLU A 179
 None
KCX  A 154 ( 3.2A)
None
None
 1.04A 5g0pA-3pnzA:
undetectable
5g0pB-3pnzA:
undetectable		 5g0pA-3pnzA:
21.49
5g0pB-3pnzA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0P_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN
(Listeria
monocytogenes) 		4 / 7 VAL A 136
VAL A 153
PHE A 328
GLU A 179
 None
KCX  A 154 ( 3.2A)
None
None
 1.07A 5g0pA-3pnzA:
undetectable
5g0pB-3pnzA:
undetectable		 5g0pA-3pnzA:
21.49
5g0pB-3pnzA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.66A 5ghyA-1k38A:
19.4		 5ghyA-1k38A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 ALA C  71
SER C  72
SER C 120
LYS C 210
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
 0.62A 5ghyA-3if6C:
18.9		 5ghyA-3if6C:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
None
SO4  A   4 (-3.4A)
 0.70A 5ghyA-3qnbA:
19.4		 5ghyA-3qnbA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 ALA A  56
SER A  57
SER A 106
LYS A 196
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
 0.61A 5ghyA-4iedA:
19.9		 5ghyA-4iedA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  78
SER A  79
SER A 126
LYS A 216
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.53A 5ghyA-4k0xA:
19.6		 5ghyA-4k0xA:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.45A 5ghyA-4oh0A:
18.6		 5ghyA-4oh0A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.49A 5ghyA-5bohA:
18.8		 5ghyA-5bohA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 ALA A  80
SER A  81
SER A 128
LYS A 218
GLY A 220
ARG A 261
 None
KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
GOL  A 301 (-3.1A)
 0.69A 5ghyA-5iy2A:
19.6		 5ghyA-5iy2A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_A_CEDA301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  79
SER A  80
SER A 127
LYS A 217
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.62A 5ghyA-5kzhA:
19.9		 5ghyA-5kzhA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.66A 5ghyB-1k38A:
19.4		 5ghyB-1k38A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 ALA C  71
SER C  72
SER C 120
LYS C 210
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
 0.61A 5ghyB-3if6C:
19.0		 5ghyB-3if6C:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 ALA A  66
SER A  67
SER A 115
LYS A 205
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
None
SO4  A   4 (-3.4A)
 0.69A 5ghyB-3qnbA:
19.4		 5ghyB-3qnbA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 ALA A  56
SER A  57
SER A 106
LYS A 196
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
 0.60A 5ghyB-4iedA:
19.9		 5ghyB-4iedA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  78
SER A  79
SER A 126
LYS A 216
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.52A 5ghyB-4k0xA:
19.4		 5ghyB-4k0xA:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.44A 5ghyB-4oh0A:
18.7		 5ghyB-4oh0A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.49A 5ghyB-5bohA:
18.8		 5ghyB-5bohA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 ALA A  80
SER A  81
SER A 128
LYS A 218
GLY A 220
ARG A 261
 None
KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
GOL  A 301 (-3.1A)
 0.68A 5ghyB-5iy2A:
19.6		 5ghyB-5iy2A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHY_B_CEDB301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ALA A  79
SER A  80
SER A 127
LYS A 217
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.63A 5ghyB-5kzhA:
19.9		 5ghyB-5kzhA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		7 / 11 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.63A 5ghzA-1k38A:
19.3		 5ghzA-1k38A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 11 ALA C  71
SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
None
 0.60A 5ghzA-3if6C:
18.8		 5ghzA-3if6C:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 11 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
SO4  A   4 (-3.4A)
 0.67A 5ghzA-3qnbA:
19.3		 5ghzA-3qnbA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		7 / 11 ALA A  56
SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.61A 5ghzA-4iedA:
19.8		 5ghzA-4iedA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 11 ALA A  78
SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.52A 5ghzA-4k0xA:
19.4		 5ghzA-4k0xA:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		6 / 11 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.44A 5ghzA-4oh0A:
18.5		 5ghzA-4oh0A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 11 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.50A 5ghzA-5bohA:
18.6		 5ghzA-5bohA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 11 ALA A  80
SER A  81
SER A 128
LYS A 218
GLY A 220
ARG A 261
 None
KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
GOL  A 301 (-3.1A)
 0.68A 5ghzA-5iy2A:
19.4		 5ghzA-5iy2A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 11 ALA A  79
SER A  80
SER A 127
LYS A 217
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.60A 5ghzA-5kzhA:
19.7		 5ghzA-5kzhA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		7 / 10 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 244
 None
KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
FMT  A 401 (-2.6A)
 0.63A 5ghzB-1k38A:
19.3		 5ghzB-1k38A:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 10 ALA C  71
SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
ARG C 249
 None
KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
None
 0.61A 5ghzB-3if6C:
18.8		 5ghzB-3if6C:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 10 ALA A  66
SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
ARG A 250
 None
KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
SO4  A   4 (-3.4A)
 0.67A 5ghzB-3qnbA:
19.3		 5ghzB-3qnbA:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		7 / 10 ALA A  56
SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
ARG A 239
 None
KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.63A 5ghzB-4iedA:
19.8		 5ghzB-4iedA:
25.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 10 ALA A  78
SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ARG A 259
 None
KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
BCT  A 301 (-3.0A)
 0.54A 5ghzB-4k0xA:
19.3		 5ghzB-4k0xA:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		6 / 10 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
CL  A 301 (-3.7A)
 0.46A 5ghzB-4oh0A:
18.5		 5ghzB-4oh0A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 10 ALA A  82
SER A  83
SER A 130
LYS A 220
GLY A 222
ARG A 263
 None
KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.51A 5ghzB-5bohA:
18.4		 5ghzB-5bohA:
23.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 10 ALA A  80
SER A  81
SER A 128
LYS A 218
GLY A 220
ARG A 261
 None
KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
GOL  A 301 (-3.1A)
 0.69A 5ghzB-5iy2A:
19.4		 5ghzB-5iy2A:
24.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GHZ_B_CEDB301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 10 ALA A  79
SER A  80
SER A 127
LYS A 217
GLY A 219
ARG A 260
 FMT  A 301 (-3.2A)
FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.60A 5ghzB-5kzhA:
19.7		 5ghzB-5kzhA:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		 1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE
(Escherichia
coli) 		4 / 4 THR A 114
LEU A 188
HIS A 231
GLY A 187
 KCX  A 224 ( 3.9A)
KCX  A 224 ( 4.9A)
None
None
 1.42A 5gwyA-1e8cA:
0.0		 5gwyA-1e8cA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3nwr A RUBISCO-LIKE
PROTEIN
(Paraburkholderia
fungorum) 		5 / 9 SER A 380
GLY A 165
ALA A 189
VAL A 191
ILE A 194
 None
None
None
None
KCX  A 195 ( 3.8A)
 1.22A 5i3cA-3nwrA:
undetectable		 5i3cA-3nwrA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3nwr A RUBISCO-LIKE
PROTEIN
(Paraburkholderia
fungorum) 		5 / 10 SER A 380
GLY A 165
ALA A 189
VAL A 191
ILE A 194
 None
None
None
None
KCX  A 195 ( 3.8A)
 1.21A 5i3cB-3nwrA:
undetectable		 5i3cB-3nwrA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I9Y_A_1N1A1001_2
(EPHRIN TYPE-A
RECEPTOR 2)		 2ftw DIHYDROPYRIMIDINE
AMIDOHYDROLASE
(Dictyostelium
discoideum) 		3 / 3 ILE A 134
ILE A 102
MET A 145
 KCX  A 158 ( 4.2A)
None
None
 0.69A 5i9yA-2ftwA:
undetectable		 5i9yA-2ftwA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGV_A_ZITA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  72
ASP A 264
HIS A  24
ALA A  94
TYR A 100
 None
ZN  A 401 (-2.4A)
ZN  A 401 (-3.2A)
KCX  A 145 ( 4.6A)
None
 1.22A 5igvA-4if2A:
undetectable		 5igvA-4if2A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.10A 5ikrA-4c13A:
undetectable		 5ikrA-4c13A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.12A 5ikrB-4c13A:
undetectable		 5ikrB-4c13A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JS1_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 2fvm DIHYDROPYRIMIDINASE
(Lachancea
kluyveri) 		3 / 3 VAL A  63
ALA A  61
PHE A  97
 None
None
KCX  A 167 ( 4.5A)
 0.86A 5js1A-2fvmA:
1.8		 5js1A-2fvmA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 0.98A 5jvzA-4c13A:
undetectable		 5jvzA-4c13A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE
(Staphylococcus
aureus) 		5 / 12 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.01A 5jvzB-4c13A:
undetectable		 5jvzB-4c13A:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 12 PHE C 274
SER C 273
GLY C 278
GLY C 281
SER C 250
 KCX  C 220 ( 4.4A)
None
None
None
None
 1.12A 5kocB-5fseC:
undetectable		 5kocB-5fseC:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 9 ALA B 246
ILE B 216
GLY B 158
ILE B 137
PRO B 413
 KCX  B 219 ( 4.3A)
None
None
None
None
 1.28A 5kr2A-1e9yB:
undetectable		 5kr2A-1e9yB:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR2_C_ROCC101_1
(PROTEASE PR5-SQV)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 9 ALA B 246
ILE B 216
GLY B 158
ILE B 137
PRO B 413
 KCX  B 219 ( 4.3A)
None
None
None
None
 1.26A 5kr2C-1e9yB:
undetectable		 5kr2C-1e9yB:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KXI_A_NCTA402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 8 THR C 136
CYH C 245
TYR C 272
LEU C 195
 None
None
KCX  C 218 ( 4.5A)
KCX  C 218 ( 4.2A)
 1.45A 5kxiA-3qgkC:
undetectable
5kxiB-3qgkC:
undetectable		 5kxiA-3qgkC:
19.07
5kxiB-3qgkC:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 5l5fV-3la4A:
undetectable
5l5fb-3la4A:
undetectable		 5l5fV-3la4A:
15.16
5l5fb-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 5l5fV-3qgkC:
undetectable
5l5fb-3qgkC:
undetectable		 5l5fV-3qgkC:
18.73
5l5fb-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 5l5fV-4g7eB:
undetectable
5l5fb-4g7eB:
undetectable		 5l5fV-4g7eB:
14.55
5l5fb-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.47A 5l5fH-1e9yB:
0.0
5l5fN-1e9yB:
0.0		 5l5fH-1e9yB:
18.56
5l5fN-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 5l5fH-3la4A:
undetectable
5l5fN-3la4A:
undetectable		 5l5fH-3la4A:
15.16
5l5fN-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 5l5fH-3qgkC:
undetectable
5l5fN-3qgkC:
undetectable		 5l5fH-3qgkC:
18.73
5l5fN-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 5l5fH-4g7eB:
undetectable
5l5fN-4g7eB:
undetectable		 5l5fH-4g7eB:
14.55
5l5fN-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.45A 5l66V-3la4A:
undetectable
5l66b-3la4A:
undetectable		 5l66V-3la4A:
15.16
5l66b-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.41A 5l66V-3qgkC:
undetectable
5l66b-3qgkC:
undetectable		 5l66V-3qgkC:
18.73
5l66b-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.46A 5l66V-4g7eB:
undetectable
5l66b-4g7eB:
undetectable		 5l66V-4g7eB:
14.55
5l66b-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 11 SER B 363
THR B 171
THR B 170
THR B 167
THR B 300
 None
KCX  B 219 ( 3.0A)
None
None
None
 1.47A 5l66H-1e9yB:
undetectable
5l66N-1e9yB:
undetectable		 5l66H-1e9yB:
18.56
5l66N-1e9yB:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3la4 UREASE
(Canavalia
ensiformis) 		5 / 11 SER A 634
THR A 442
THR A 441
THR A 438
THR A 571
 None
KCX  A 490 ( 3.4A)
None
None
None
 1.44A 5l66H-3la4A:
undetectable
5l66N-3la4A:
undetectable		 5l66H-3la4A:
15.16
5l66N-3la4A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		5 / 11 SER C 362
THR C 170
THR C 169
THR C 166
THR C 299
 None
KCX  C 218 ( 3.4A)
None
None
None
 1.40A 5l66H-3qgkC:
undetectable
5l66N-3qgkC:
undetectable		 5l66H-3qgkC:
18.73
5l66N-3qgkC:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 4g7e UREASE
(Cajanus
cajan) 		5 / 11 SER B 634
THR B 442
THR B 441
THR B 438
THR B 571
 None
KCX  B 490 ( 3.5A)
None
None
None
 1.45A 5l66H-4g7eB:
undetectable
5l66N-4g7eB:
undetectable		 5l66H-4g7eB:
14.55
5l66N-4g7eB:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 1poj ISOASPARTYL
DIPEPTIDASE
(Escherichia
coli) 		5 / 12 LEU A 227
ASP A 252
THR A 254
LEU A 103
GLY A 102
 None
None
None
KCX  A 162 ( 4.2A)
None
 1.42A 5m66A-1pojA:
undetectable		 5m66A-1pojA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 12 LEU A 103
ASP A  75
THR A 290
GLY A 107
HIS A  79
 None
None
None
KCX  A 175 ( 4.0A)
ZN  A 418 (-3.4A)
 1.39A 5m66A-2ogjA:
undetectable		 5m66A-2ogjA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 220
CYH A 146
LEU A 161
ASP A 188
 None
KCX  A 145 ( 4.0A)
None
None
 1.21A 5mafA-4if2A:
undetectable		 5mafA-4if2A:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MXB_A_ML1A222_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		5 / 10 VAL A 108
LEU A  90
PHE A  89
GLY A 198
ALA A  56
 KCX  A  60 ( 3.9A)
CL  A 303 ( 4.1A)
None
None
None
 1.19A 5mxbA-4iedA:
1.9		 5mxbA-4iedA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3ovg AMIDOHYDROLASE
(Mycoplasma
synoviae) 		4 / 6 HIS A 186
HIS A  26
HIS A  24
HIS A 100
 ZN  A 363 (-3.5A)
ZN  A 362 (-3.5A)
ZN  A 362 (-3.6A)
KCX  A 153 ( 4.1A)
 0.89A 5ncdB-3ovgA:
4.3
5ncdC-3ovgA:
4.4		 5ncdB-3ovgA:
21.93
5ncdC-3ovgA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 2gwn DIHYDROOROTASE
(Porphyromonas
gingivalis) 		5 / 12 GLU A 263
LEU A 148
ALA A 179
THR A 102
ARG A 112
 None
KCX  A 149 ( 3.7A)
KCX  A 149 ( 4.4A)
None
None
 1.22A 5nd3B-2gwnA:
1.8		 5nd3B-2gwnA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3ovg AMIDOHYDROLASE
(Mycoplasma
synoviae) 		4 / 6 HIS A  26
HIS A  24
HIS A 100
HIS A 186
 ZN  A 362 (-3.5A)
ZN  A 362 (-3.6A)
KCX  A 153 ( 4.1A)
ZN  A 363 (-3.5A)
 0.92A 5nelA-3ovgA:
4.7
5nelD-3ovgA:
undetectable		 5nelA-3ovgA:
21.93
5nelD-3ovgA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 12 LEU A 174
ARG A 177
GLY A 107
GLU A 148
GLY A 136
 KCX  A 175 ( 4.1A)
None
KCX  A 175 ( 4.0A)
None
None
 1.23A 5o4yD-2ogjA:
undetectable
5o4yE-2ogjA:
undetectable		 5o4yD-2ogjA:
2.84
5o4yE-2ogjA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OS7_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 5j84 DIHYDROXY-ACID
DEHYDRATASE
(Rhizobium
leguminosarum) 		3 / 3 HIS A 282
SER A 133
LYS A 130
 KCX  A 129 ( 4.1A)
KCX  A 129 ( 2.8A)
KCX  A 129 ( 3.1A)
 1.33A 5os7A-5j84A:
undetectable		 5os7A-5j84A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 10 ALA C 217
LEU C 197
GLY C 160
ILE C 266
LEU C 263
 None
KCX  C 220 ( 4.3A)
None
None
None
 1.15A 5oy01-5fseC:
undetectable
5oy07-5fseC:
undetectable		 5oy01-5fseC:
9.34
5oy07-5fseC:
5.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		 4lfy DIHYDROOROTASE
(Burkholderia
cenocepacia) 		4 / 5 LEU A  93
VAL A 116
MET A 144
CYH A 137
 None
KCX  A 117 ( 3.0A)
None
None
 1.07A 5te0A-4lfyA:
undetectable		 5te0A-4lfyA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)		 1w78 FOLC BIFUNCTIONAL
PROTEIN
(Escherichia
coli) 		3 / 3 GLY A 150
LEU A 149
HIS A 173
 KCX  A 188 ( 3.4A)
PD8  A1421 ( 4.4A)
MG  A1422 ( 3.4A)
 0.67A 5u63A-1w78A:
2.3		 5u63A-1w78A:
24.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U63_A_ACTA406_0
(THIOREDOXIN
REDUCTASE)		 2qf7 PYRUVATE CARBOXYLASE
PROTEIN
(Rhizobium
etli) 		3 / 3 HIS A 749
SER A 782
ARG A 548
 ZN  A1157 (-3.3A)
None
KCX  A 718 ( 3.6A)
 0.96A 5u63A-2qf7A:
2.7		 5u63A-2qf7A:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UIZ_A_CUA301_0
(AA10A)		 2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD
(Lactobacillus
paracasei) 		4 / 5 HIS A  17
ALA A 315
HIS A  16
GLN A 225
 ZN  A 376 (-3.3A)
None
None
KCX  A 166 ( 4.9A)
 1.10A 5uizA-2qpxA:
undetectable		 5uizA-2qpxA:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 4 LEU C 219
GLY C 198
SER C 200
SER C 201
 KCX  C 218 ( 4.3A)
KCX  C 218 ( 3.6A)
None
None
 1.33A 5uunA-3qgkC:
undetectable		 5uunA-3qgkC:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_B_ACTB306_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3la4 UREASE
(Canavalia
ensiformis) 		4 / 4 LEU A 491
GLY A 470
SER A 472
SER A 473
 KCX  A 490 ( 4.2A)
KCX  A 490 ( 3.5A)
None
None
 1.31A 5uunB-3la4A:
undetectable		 5uunB-3la4A:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_B_ACTB306_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 4 LEU C 219
GLY C 198
SER C 200
SER C 201
 KCX  C 218 ( 4.3A)
KCX  C 218 ( 3.6A)
None
None
 1.31A 5uunB-3qgkC:
undetectable		 5uunB-3qgkC:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE
(Mycobacterium
tuberculosis) 		4 / 7 ARG A 235
PHE A 236
LEU A 265
SER A 222
 None
None
KCX  A 262 ( 4.4A)
UAG  A1498 (-2.6A)
 1.16A 5uxcA-2wtzA:
undetectable		 5uxcA-2wtzA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		 2fvm DIHYDROPYRIMIDINASE
(Lachancea
kluyveri) 		5 / 12 LEU A 175
GLY A 393
ILE A 135
PHE A  97
GLU A 201
 None
URP  A 604 (-3.4A)
KCX  A 167 ( 4.4A)
KCX  A 167 ( 4.5A)
None
 1.03A 5veuH-2fvmA:
undetectable		 5veuH-2fvmA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_C_PCFC1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		5 / 9 GLY A  81
LEU A 178
ILE A 127
PHE A 169
ILE A  71
 None
None
None
None
KCX  A  70 ( 4.3A)
 0.93A 5vkqC-1k38A:
0.0
5vkqD-1k38A:
0.0		 5vkqC-1k38A:
9.70
5vkqD-1k38A:
9.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_C_PCFC1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		5 / 9 LEU A 193
ILE A 142
LEU A 138
PHE A 184
ILE A  87
 None
None
None
None
KCX  A  86 ( 4.4A)
 0.93A 5vkqC-4oh0A:
undetectable
5vkqD-4oh0A:
undetectable		 5vkqC-4oh0A:
10.11
5vkqD-4oh0A:
10.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_C_PCFC1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		5 / 9 LEU A 193
ILE A 142
LEU A 138
PHE A 184
ILE A  87
 None
None
None
None
KCX  A  86 ( 4.3A)
 0.92A 5vkqC-5bohA:
undetectable
5vkqD-5bohA:
undetectable		 5vkqC-5bohA:
9.58
5vkqD-5bohA:
9.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		4 / 7 ILE A  71
GLN A 185
TRP A 218
TYR A 141
 KCX  A  70 ( 4.3A)
None
None
None
 1.10A 5vlmC-1k38A:
undetectable		 5vlmC-1k38A:
24.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		4 / 7 ILE C  76
GLN C 190
TRP C 223
TYR C 146
 KCX  C  75 ( 4.4A)
None
None
None
 1.01A 5vlmC-3if6C:
undetectable		 5vlmC-3if6C:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV5_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN
(Listeria
monocytogenes) 		4 / 7 PHE A 328
GLU A 179
ARG A   5
VAL A 153
 None
None
None
KCX  A 154 ( 3.2A)
 1.01A 5vv5A-3pnzA:
0.0
5vv5B-3pnzA:
0.0		 5vv5A-3pnzA:
19.81
5vv5B-3pnzA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA504_1
(CYTOCHROME P450 2C9)		 5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE
(Pseudomonas
aeruginosa) 		4 / 8 PHE A  93
ILE A  95
PHE A 152
PRO A 336
 KCX  A 150 ( 4.0A)
None
KCX  A 150 ( 4.0A)
None
 1.12A 5x23A-5ykdA:
undetectable		 5x23A-5ykdA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 10 PHE A 213
ASP A 272
GLY A 247
PHE A 251
ALA A  89
 None
ZN  A 400 (-2.8A)
None
None
KCX  A 154 ( 3.7A)
 1.25A 5x66D-2icsA:
undetectable		 5x66D-2icsA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 10 PHE A 213
ILE A 244
GLY A 247
PHE A 251
ALA A  89
 None
None
None
None
KCX  A 154 ( 3.7A)
 1.31A 5x66D-2icsA:
undetectable		 5x66D-2icsA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 10 PHE A 233
ASP A 291
GLY A 266
PHE A 270
ALA A 106
 None
ZN  A 418 (-2.5A)
None
None
KCX  A 175 ( 3.6A)
 1.26A 5x66D-2ogjA:
undetectable		 5x66D-2ogjA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 10 PHE A 233
ILE A 263
GLY A 266
PHE A 270
ALA A 106
 None
None
None
None
KCX  A 175 ( 3.6A)
 1.37A 5x66D-2ogjA:
undetectable		 5x66D-2ogjA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3sfw DIHYDROPYRIMIDINASE
(Brevibacillus
agri) 		4 / 6 LEU A 101
VAL A 126
LEU A 149
ARG A 172
 None
KCX  A 150 ( 4.3A)
KCX  A 150 ( 4.3A)
None
 0.97A 5x7zA-3sfwA:
undetectable		 5x7zA-3sfwA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE
(Pseudomonas
aeruginosa) 		5 / 12 LEU A 235
PHE A 152
LEU A 264
ILE A 240
HIS A  61
 None
KCX  A 150 ( 4.0A)
None
None
ZN  A 502 (-3.3A)
 1.28A 5y2tA-5ykdA:
undetectable		 5y2tA-5ykdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YJS_A_SALA603_0
(VICILIN-LIKE
ANTIMICROBIAL
PEPTIDES 2-2)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		5 / 11 PHE A 654
ASN A 624
ARG A 621
MET A 618
GLY A 586
 KCX  A 718 ( 4.0A)
None
PYR  A1101 (-4.0A)
None
PYR  A1101 ( 3.9A)
 1.49A 5yjsA-4jx6A:
undetectable		 5yjsA-4jx6A:
6.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 11 HIS A 322
ILE A 367
HIS A 286
SER A 369
ASP A 189
 KCX  A 192 (-3.8A)
None
KCX  A 192 ( 3.5A)
CAP  A 500 (-3.3A)
None
 1.24A 5z0fA-5hqlA:
undetectable
5z0fB-5hqlA:
undetectable		 5z0fA-5hqlA:
9.98
5z0fB-5hqlA:
10.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6J_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3n2c PROLIDASE
(unidentified) 		3 / 3 MET A 190
ASP A 200
ARG A 144
 KCX  A 188 ( 3.8A)
None
None
 1.17A 5z6jA-3n2cA:
undetectable		 5z6jA-3n2cA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZOV_A_ASCA501_0
(PTS
ASCORBATE-SPECIFIC
SUBUNIT IIBC)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 10 HIS A 286
ILE A 367
HIS A 322
ALA A 290
ILE A 165
 KCX  A 192 ( 3.5A)
None
KCX  A 192 (-3.8A)
None
KCX  A 192 (-3.7A)
 1.16A 5zovA-5hqlA:
0.0		 5zovA-5hqlA:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZOV_A_ASCA501_0
(PTS
ASCORBATE-SPECIFIC
SUBUNIT IIBC)		 5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III
(Methanococcoides
burtonii) 		5 / 10 HIS A 286
ILE A 397
HIS A 322
ALA A 290
ILE A 165
 KCX  A 193 ( 4.3A)
None
CAP  A 501 (-4.0A)
None
CAP  A 501 (-3.7A)
 1.20A 5zovA-5macA:
undetectable		 5zovA-5macA:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZOV_B_ASCB501_0
(PTS
ASCORBATE-SPECIFIC
SUBUNIT IIBC)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 12 HIS A 286
ILE A 367
HIS A 322
ALA A 290
ILE A 165
 KCX  A 192 ( 3.5A)
None
KCX  A 192 (-3.8A)
None
KCX  A 192 (-3.7A)
 1.17A 5zovB-5hqlA:
undetectable		 5zovB-5hqlA:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZOV_B_ASCB501_0
(PTS
ASCORBATE-SPECIFIC
SUBUNIT IIBC)		 5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III
(Methanococcoides
burtonii) 		5 / 12 HIS A 286
ILE A 397
HIS A 322
ALA A 290
ILE A 165
 KCX  A 193 ( 4.3A)
None
CAP  A 501 (-4.0A)
None
CAP  A 501 (-3.7A)
 1.20A 5zovB-5macA:
undetectable		 5zovB-5macA:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A93_A_8NUA3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 5fse UREASE SUBUNIT ALPHA
(Sporosarcina
pasteurii) 		5 / 12 SER C 496
THR C 156
ILE C 192
LEU C 219
PHE C 140
 None
None
None
KCX  C 220 ( 4.0A)
None
 1.24A 6a93A-5fseC:
undetectable		 6a93A-5fseC:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B50_A_OAQA302_0
(SULFOTRANSFERASE
OXAMNIQUINE
RESISTANCE PROTEIN)		 2ics ADENINE DEAMINASE
(Enterococcus
faecalis) 		5 / 12 PRO A 184
MET A 186
VAL A 150
VAL A 151
ASP A  88
 None
KCX  A 154 ( 3.9A)
None
None
None
 1.47A 6b50A-2icsA:
0.4		 6b50A-2icsA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 SER A  67
SER A 115
ARG A 244
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 (-2.6A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
 0.83A 6b5yB-1k38A:
19.0		 6b5yB-1k38A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 SER C  72
SER C 120
ARG C 249
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
None
KCX  C  75 ( 4.4A)
None
None
 0.81A 6b5yB-3if6C:
18.2		 6b5yB-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 SER A  67
SER A 115
ARG A 250
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.92A 6b5yB-3qnbA:
18.7		 6b5yB-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.43A 6b5yB-4gn2A:
17.4		 6b5yB-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		7 / 12 SER A  57
SER A 106
ARG A 239
LYS A 196
THR A 197
GLY A 198
ASP A 202
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
None
KCX  A  60 ( 4.5A)
None
None
None
 1.10A 6b5yB-4iedA:
19.1		 6b5yB-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 SER A  79
SER A 126
ARG A 259
LYS A 216
THR A 217
GLY A 218
ASP A 222
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
None
 0.88A 6b5yB-4k0xA:
19.1		 6b5yB-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.66A 6b5yB-5ctmA:
18.0		 6b5yB-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		7 / 12 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
GLY A 222
ASP A 224
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
None
 1.26A 6b5yB-5iy2A:
19.4		 6b5yB-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
ASP A 223
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
None
 1.19A 6b5yB-5kzhA:
19.6		 6b5yB-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		5 / 12 SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
 0.47A 6b5yD-3if6C:
18.2		 6b5yD-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.70A 6b5yD-3qnbA:
18.6		 6b5yD-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.46A 6b5yD-4gn2A:
17.4		 6b5yD-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
ASP A 202
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.97A 6b5yD-4iedA:
19.2		 6b5yD-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ASP A 222
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
None
 0.75A 6b5yD-4k0xA:
19.2		 6b5yD-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.71A 6b5yD-5ctmA:
18.0		 6b5yD-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		5 / 12 SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
 0.32A 6b68B-3if6C:
18.2		 6b68B-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.56A 6b68B-3qnbA:
18.7		 6b68B-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.31A 6b68B-4gn2A:
16.8		 6b68B-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
ASP A 202
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.87A 6b68B-4iedA:
19.0		 6b68B-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ASP A 222
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
None
 0.64A 6b68B-4k0xA:
19.3		 6b68B-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.55A 6b68B-5ctmA:
18.0		 6b68B-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 SER A  81
SER A 128
LYS A 218
GLY A 220
GLY A 222
ASP A 224
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
None
 1.12A 6b68B-5iy2A:
19.4		 6b68B-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  80
SER A 127
LYS A 217
GLY A 219
GLY A 221
ASP A 223
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
None
 1.08A 6b68B-5kzhA:
19.6		 6b68B-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 SER A  67
SER A 115
ARG A 250
LYS A 205
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
None
None
 0.97A 6b68D-3qnbA:
18.7		 6b68D-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 SER A  63
SER A 112
LYS A 208
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
 0.35A 6b68D-4gn2A:
17.3		 6b68D-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 SER A  57
SER A 106
ARG A 239
LYS A 196
GLY A 198
ASP A 202
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
None
KCX  A  60 ( 4.5A)
None
None
 1.12A 6b68D-4iedA:
19.2		 6b68D-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  79
SER A 126
ARG A 259
LYS A 216
GLY A 218
ASP A 222
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.4A)
None
 0.89A 6b68D-4k0xA:
19.3		 6b68D-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		5 / 12 SER A  83
SER A 130
LYS A 220
GLY A 222
GLY A 224
 KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
None
 0.58A 6b68D-4oh0A:
17.8		 6b68D-4oh0A:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  83
SER A 130
ARG A 263
LYS A 220
GLY A 222
GLY A 224
 KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
None
KCX  A  86 ( 4.5A)
None
None
 0.90A 6b68D-5bohA:
18.3		 6b68D-5bohA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		5 / 12 SER A 101
SER A 149
LYS A 239
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.2A)
None
 0.61A 6b68D-5ctmA:
17.4		 6b68D-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
ASP A 224
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
 1.11A 6b68D-5iy2A:
19.4		 6b68D-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
GLY A 222
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
 0.97A 6b68D-5iy2A:
19.4		 6b68D-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
ASP A 223
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.98A 6b68D-5kzhA:
19.6		 6b68D-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.86A 6b68D-5kzhA:
19.6		 6b68D-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.59A 6b69A-3qnbA:
18.7
6b69B-3qnbA:
18.7		 6b69A-3qnbA:
14.34
6b69B-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.33A 6b69A-4gn2A:
17.4
6b69B-4gn2A:
17.4		 6b69A-4gn2A:
20.81
6b69B-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
ASP A 202
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
None
 0.83A 6b69A-4iedA:
19.2
6b69B-4iedA:
19.2		 6b69A-4iedA:
15.51
6b69B-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ASP A 222
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
None
 0.59A 6b69A-4k0xA:
19.2
6b69B-4k0xA:
19.2		 6b69A-4k0xA:
16.15
6b69B-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.60A 6b69A-5ctmA:
17.9
6b69B-5ctmA:
17.3		 6b69A-5ctmA:
13.45
6b69B-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 SER A  81
SER A 128
LYS A 218
GLY A 220
GLY A 222
ASP A 224
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
None
 1.10A 6b69A-5iy2A:
19.4
6b69B-5iy2A:
19.3		 6b69A-5iy2A:
17.70
6b69B-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  80
SER A 127
LYS A 217
GLY A 219
GLY A 221
ASP A 223
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
None
 1.06A 6b69A-5kzhA:
19.6
6b69B-5kzhA:
19.5		 6b69A-5kzhA:
17.22
6b69B-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 SER A  67
SER A 115
ARG A 244
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 (-2.6A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
 0.83A 6b69D-1k38A:
18.7		 6b69D-1k38A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 SER C  72
SER C 120
ARG C 249
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
None
KCX  C  75 ( 4.4A)
None
None
 0.77A 6b69D-3if6C:
18.1		 6b69D-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 SER A  67
SER A 115
ARG A 250
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.90A 6b69D-3qnbA:
18.5		 6b69D-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.31A 6b69D-4gn2A:
17.3		 6b69D-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 SER A  57
SER A 106
ARG A 239
LYS A 196
THR A 197
GLY A 198
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
None
KCX  A  60 ( 4.5A)
None
None
 0.72A 6b69D-4iedA:
18.9		 6b69D-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  79
SER A 126
ARG A 259
LYS A 216
THR A 217
GLY A 218
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
 0.75A 6b69D-4k0xA:
19.2		 6b69D-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  83
SER A 130
ARG A 263
LYS A 220
GLY A 222
GLY A 224
 KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
None
KCX  A  86 ( 4.5A)
None
None
 0.85A 6b69D-5bohA:
18.2		 6b69D-5bohA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_D_9F2D301_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.61A 6b69D-5ctmA:
17.9		 6b69D-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 SER A  67
SER A 115
ARG A 244
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 (-2.6A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
 0.80A 6b6aB-1k38A:
18.6		 6b6aB-1k38A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 SER C  72
SER C 120
ARG C 249
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
None
KCX  C  75 ( 4.4A)
None
None
 0.77A 6b6aB-3if6C:
18.1		 6b6aB-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 SER A  67
SER A 115
ARG A 250
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.86A 6b6aB-3qnbA:
18.6		 6b6aB-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.32A 6b6aB-4gn2A:
17.3		 6b6aB-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		7 / 12 SER A  57
SER A 106
ARG A 239
LYS A 196
THR A 197
GLY A 198
ASP A 202
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
None
KCX  A  60 ( 4.5A)
None
None
None
 1.05A 6b6aB-4iedA:
19.0		 6b6aB-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 SER A  79
SER A 126
ARG A 259
LYS A 216
THR A 217
GLY A 218
ASP A 222
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
None
 0.82A 6b6aB-4k0xA:
19.1		 6b6aB-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 4oh0 BETA-LACTAMASE
OXA-58
(Acinetobacter
baumannii) 		6 / 12 SER A  83
SER A 130
ARG A 263
LYS A 220
GLY A 222
GLY A 224
 KCX  A  86 ( 2.6A)
KCX  A  86 ( 3.3A)
CL  A 301 (-3.7A)
CL  A 301 ( 4.4A)
CL  A 301 (-3.6A)
None
 0.91A 6b6aB-4oh0A:
17.7		 6b6aB-4oh0A:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  83
SER A 130
ARG A 263
LYS A 220
GLY A 222
GLY A 224
 KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
None
KCX  A  86 ( 4.5A)
None
None
 0.85A 6b6aB-5bohA:
18.1		 6b6aB-5bohA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.59A 6b6aB-5ctmA:
18.0		 6b6aB-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		7 / 12 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
GLY A 222
ASP A 224
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
None
 1.19A 6b6aB-5iy2A:
19.4		 6b6aB-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
ASP A 223
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
None
 1.14A 6b6aB-5kzhA:
19.7		 6b6aB-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 SER A  67
SER A 115
ARG A 244
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 (-2.6A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
 0.81A 6b6aD-1k38A:
18.6		 6b6aD-1k38A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 SER C  72
SER C 120
ARG C 249
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
None
KCX  C  75 ( 4.4A)
None
None
 0.77A 6b6aD-3if6C:
17.9		 6b6aD-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 SER A  67
SER A 115
ARG A 250
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.87A 6b6aD-3qnbA:
18.4		 6b6aD-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.31A 6b6aD-4gn2A:
17.2		 6b6aD-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		7 / 12 SER A  57
SER A 106
ARG A 239
LYS A 196
THR A 197
GLY A 198
ASP A 202
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
None
KCX  A  60 ( 4.5A)
None
None
None
 1.01A 6b6aD-4iedA:
19.0		 6b6aD-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 SER A  79
SER A 126
ARG A 259
LYS A 216
THR A 217
GLY A 218
ASP A 222
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
None
 0.80A 6b6aD-4k0xA:
19.1		 6b6aD-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 5boh BETA-LACTAMASE
(Acinetobacter
baumannii) 		5 / 12 SER A  83
SER A 130
LYS A 220
GLY A 222
GLY A 224
 KCX  A  86 ( 2.7A)
KCX  A  86 ( 3.5A)
KCX  A  86 ( 4.5A)
None
None
 0.39A 6b6aD-5bohA:
18.1		 6b6aD-5bohA:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.59A 6b6aD-5ctmA:
17.8		 6b6aD-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		7 / 12 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
GLY A 222
ASP A 224
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
None
 1.18A 6b6aD-5iy2A:
19.2		 6b6aD-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		7 / 12 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
ASP A 223
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
None
 1.13A 6b6aD-5kzhA:
19.5		 6b6aD-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 SER A  67
SER A 115
ARG A 244
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 (-2.6A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
 0.88A 6b6cA-1k38A:
18.9		 6b6cA-1k38A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 SER C  72
SER C 120
ARG C 249
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
None
KCX  C  75 ( 4.4A)
None
None
 0.82A 6b6cA-3if6C:
18.2		 6b6cA-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 SER A  67
PRO A 118
ARG A 250
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
None
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
 1.44A 6b6cA-3qnbA:
18.7		 6b6cA-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 SER A  67
SER A 115
ARG A 250
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.96A 6b6cA-3qnbA:
18.7		 6b6cA-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.44A 6b6cA-4gn2A:
17.2		 6b6cA-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 SER A  57
SER A 106
ARG A 239
LYS A 196
THR A 197
GLY A 198
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
None
KCX  A  60 ( 4.5A)
None
None
 0.79A 6b6cA-4iedA:
19.2		 6b6cA-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  79
SER A 126
ARG A 259
LYS A 216
THR A 217
GLY A 218
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
 0.83A 6b6cA-4k0xA:
19.3		 6b6cA-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.69A 6b6cA-5ctmA:
17.8		 6b6cA-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
GLY A 222
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
 1.01A 6b6cA-5iy2A:
19.3		 6b6cA-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ILE A 129
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
 KCX  A  83 ( 4.2A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 1.37A 6b6cA-5kzhA:
19.6		 6b6cA-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6C_A_9F2A301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.88A 6b6cA-5kzhA:
19.6		 6b6cA-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.53A 6b6dA-3qnbA:
18.6		 6b6dA-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.58A 6b6dA-4gn2A:
17.1		 6b6dA-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.46A 6b6dA-5ctmA:
17.7		 6b6dA-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 1k38 BETA-LACTAMASE OXA-2
(Salmonella
enterica) 		6 / 12 SER A  67
SER A 115
ARG A 244
LYS A 205
THR A 206
GLY A 207
 KCX  A  70 ( 2.7A)
FMT  A 401 (-2.4A)
FMT  A 401 (-2.6A)
FMT  A 401 ( 3.8A)
FMT  A 401 (-3.7A)
FMT  A 401 (-3.6A)
 0.82A 6b6eA-1k38A:
18.9		 6b6eA-1k38A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		6 / 12 SER C  72
SER C 120
ARG C 249
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
None
KCX  C  75 ( 4.4A)
None
None
 0.78A 6b6eA-3if6C:
18.3		 6b6eA-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		7 / 12 SER A  67
SER A 115
ARG A 250
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
SO4  A   4 (-3.4A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.86A 6b6eA-3qnbA:
18.8		 6b6eA-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.38A 6b6eA-4gn2A:
17.3		 6b6eA-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		6 / 12 SER A  57
SER A 106
ARG A 239
LYS A 196
THR A 197
GLY A 198
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
None
KCX  A  60 ( 4.5A)
None
None
 0.80A 6b6eA-4iedA:
19.3		 6b6eA-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  79
SER A 126
ARG A 259
LYS A 216
THR A 217
GLY A 218
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
 0.78A 6b6eA-4k0xA:
19.2		 6b6eA-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		6 / 12 SER A 101
SER A 149
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-2.5A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.67A 6b6eA-5ctmA:
18.0		 6b6eA-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 SER A  81
SER A 128
ARG A 261
LYS A 218
GLY A 220
GLY A 222
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 (-3.1A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
 0.94A 6b6eA-5iy2A:
19.4		 6b6eA-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 ILE A 129
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
 KCX  A  83 ( 4.2A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 1.41A 6b6eA-5kzhA:
19.6		 6b6eA-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6E_A_9F2A302_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  80
SER A 127
ARG A 260
LYS A 217
GLY A 219
GLY A 221
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
None
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
 0.87A 6b6eA-5kzhA:
19.6		 6b6eA-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3if6 OXA-46 OXACILLINASE
(Pseudomonas
aeruginosa) 		5 / 12 SER C  72
SER C 120
LYS C 210
THR C 211
GLY C 212
 KCX  C  75 ( 2.7A)
KCX  C  75 ( 3.5A)
KCX  C  75 ( 4.4A)
None
None
 0.49A 6b6fA-3if6C:
18.2		 6b6fA-3if6C:
15.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 3qnb OXACILLINASE
(Escherichia
coli) 		6 / 12 SER A  67
SER A 115
LYS A 205
THR A 206
GLY A 207
GLY A 209
 KCX  A  70 ( 2.7A)
KCX  A  70 ( 4.6A)
KCX  A  70 ( 4.7A)
SO4  A   4 (-2.9A)
None
None
 0.78A 6b6fA-3qnbA:
18.5		 6b6fA-3qnbA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 4gn2 OXACILLINASE
(Pseudomonas
aeruginosa) 		7 / 12 SER A  63
SER A 112
LYS A 208
THR A 209
GLY A 210
THR A 211
GLY A 212
 KCX  A  66 ( 2.9A)
KCX  A  66 ( 3.5A)
KCX  A  66 ( 4.5A)
None
None
None
None
 0.50A 6b6fA-4gn2A:
17.0		 6b6fA-4gn2A:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 4ied CLASS D
BETA-LACTAMASE
(Fusobacterium
nucleatum) 		5 / 12 SER A  57
SER A 106
LYS A 196
THR A 197
GLY A 198
 KCX  A  60 ( 2.7A)
KCX  A  60 ( 3.4A)
KCX  A  60 ( 4.5A)
None
None
 0.48A 6b6fA-4iedA:
19.1		 6b6fA-4iedA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 4k0x BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  79
SER A 126
LYS A 216
THR A 217
GLY A 218
ASP A 222
 KCX  A  82 (-2.5A)
BCT  A 301 (-2.8A)
BCT  A 301 (-3.0A)
BCT  A 301 (-3.5A)
BCT  A 301 (-3.4A)
None
 0.79A 6b6fA-4k0xA:
18.9		 6b6fA-4k0xA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 5ctm BETA-LACTAMASE
(Bacillus
pumilus) 		5 / 12 SER A 101
LYS A 239
THR A 240
GLY A 241
GLY A 243
 KCX  A 104 (-2.2A)
FLC  A 301 (-3.0A)
FLC  A 301 (-3.8A)
FLC  A 301 (-3.2A)
None
 0.43A 6b6fA-5ctmA:
17.6		 6b6fA-5ctmA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 5iy2 BETA-LACTAMASE
OXA-143
(Acinetobacter
baumannii) 		6 / 12 SER A  81
SER A 128
LYS A 218
GLY A 220
GLY A 222
ASP A 224
 KCX  A  84 (-2.7A)
GOL  A 301 (-3.6A)
GOL  A 301 ( 4.7A)
GOL  A 301 (-3.3A)
None
None
 1.25A 6b6fA-5iy2A:
19.2		 6b6fA-5iy2A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		 5kzh BETA-LACTAMASE
(Acinetobacter
baumannii) 		6 / 12 SER A  80
SER A 127
LYS A 217
GLY A 219
GLY A 221
ASP A 223
 FMT  A 301 (-2.5A)
FMT  A 301 (-3.3A)
KCX  A  83 ( 4.9A)
FMT  A 301 (-3.3A)
None
None
 1.17A 6b6fA-5kzhA:
19.5		 6b6fA-5kzhA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_B_RFPB502_1
(RIFAMPIN
MONOOXYGENASE)		 1e9y UREASE SUBUNIT BETA
(Helicobacter
pylori) 		5 / 12 PHE B 195
VAL B 369
THR B 171
GLY B 159
GLY B 160
 None
None
KCX  B 219 ( 3.0A)
None
None
 1.01A 6brdB-1e9yB:
undetectable		 6brdB-1e9yB:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DHB_A_BEZA202_0
(HEPATITIS A VIRUS
CELLULAR RECEPTOR 2)		 5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN
(Rhodobacter
sphaeroides) 		4 / 6 PHE A 220
ARG A 219
ILE A 244
ASP A 204
 None
None
None
KCX  A 203 ( 4.4A)
 1.47A 6dhbA-5nv3A:
undetectable		 6dhbA-5nv3A:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 5c2c FORM II RUBISCO
(Gallionella) 		5 / 12 ILE A 164
SER A 368
LEU A 169
ASP A 263
ILE A 366
 KCX  A 191 ( 4.1A)
KCX  A 191 ( 4.1A)
None
None
None
 1.23A 6dwnB-5c2cA:
undetectable		 6dwnB-5c2cA:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DYO_A_LDPA901_0
(EBONY)		 2wtz UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--2,6-DIAMINOPIMELA
TE LIGASE
(Mycobacterium
tuberculosis) 		4 / 5 VAL A 231
LEU A 226
HIS A 252
THR A 152
 None
None
None
KCX  A 262 ( 3.6A)
 1.32A 6dyoA-2wtzA:
undetectable		 6dyoA-2wtzA:
9.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE
(Rhodopseudomonas
palustris) 		5 / 11 THR A 392
PHE A 190
SER A 230
ALA A 260
ALA A 313
 KCX  A 192 ( 3.1A)
KCX  A 192 ( 4.0A)
KCX  A 192 ( 3.9A)
None
None
 1.42A 6efnA-5hqlA:
6.0		 6efnA-5hqlA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 5mac RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE-OXYGENAS
E TYPE III
(Methanococcoides
burtonii) 		5 / 11 THR A 422
PHE A 191
SER A 231
ALA A 260
ALA A 313
 KCX  A 193 ( 3.7A)
KCX  A 193 ( 4.8A)
KCX  A 193 ( 4.6A)
None
None
 1.40A 6efnA-5macA:
5.5		 6efnA-5macA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EXI_D_ADND502_0
(ADENOSYLHOMOCYSTEINA
SE)		 1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE
(Escherichia
coli) 		5 / 12 THR A 119
HIS A 267
ASN A 178
LEU A 177
GLY A 111
 None
None
None
None
KCX  A 198 ( 3.9A)
 1.37A 6exiD-1uagA:
2.4		 6exiD-1uagA:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GMD_B_ACTB402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 5j84 DIHYDROXY-ACID
DEHYDRATASE
(Rhizobium
leguminosarum) 		3 / 3 HIS A 282
SER A 133
LYS A 130
 KCX  A 129 ( 4.1A)
KCX  A 129 ( 2.8A)
KCX  A 129 ( 3.1A)
 1.33A 6gmdB-5j84A:
undetectable		 6gmdB-5j84A:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GTQ_A_ACTA204_0
(N-ACETYLTRANSFERASE)		 3qgk UREASE SUBUNIT BETA
2
(Helicobacter
mustelae) 		4 / 5 LEU C 194
THR C 172
THR C 170
GLY C 159
 None
None
KCX  C 218 ( 3.4A)
None
 1.15A 6gtqA-3qgkC:
0.0		 6gtqA-3qgkC:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCX_A_ZMRA519_1
(NEURAMINIDASE)		 3dc8 DIHYDROPYRIMIDINASE
(Sinorhizobium
meliloti) 		3 / 3 TRP A 126
ILE A 123
GLU A 133
 None
KCX  A 147 ( 4.5A)
None
 0.87A 6hcxA-3dc8A:
undetectable		 6hcxA-3dc8A:
10.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		 4nt1 ACCELERATED-CELL-DEA
TH 11
(Arabidopsis
thaliana) 		4 / 6 SER A  37
ARG A  70
ALA A  71
ALA A  63
 None
None
None
KCX  A  64 ( 3.2A)
 1.13A 6ma6A-4nt1A:
undetectable		 6ma6A-4nt1A:
19.46