SIMILAR PATTERNS OF AMINO ACIDS FOR 4GH8_A_MTXA201

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1cm8 PHOSPHORYLATED MAP
KINASE P38-GAMMA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 305
MET A 291
LEU A 141
ILE A 215
LEU A 159
 None
 1.13A 4gh8A-1cm8A:
undetectable		 4gh8A-1cm8A:
17.17
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  27
ILE A  51
LEU A  55
ARG A  58
 None
 0.47A 4gh8A-1cz3A:
19.1		 4gh8A-1cz3A:
27.84
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.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.99A 4gh8A-1ddgA:
undetectable		 4gh8A-1ddgA:
18.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ILE A   7
ALA A   9
SER A  59
ILE A  60
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.1A)
None
None
None
None
None
 0.63A 4gh8A-1dr6A:
21.9		 4gh8A-1dr6A:
36.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 SER A  59
ILE A  60
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 NAP  A 191 ( 4.1A)
None
None
None
None
None
None
 0.84A 4gh8A-1dr6A:
21.9		 4gh8A-1dr6A:
36.65
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 ILE A 127
ALA A 125
ILE A  66
ASN A  65
LEU A  93
 None
 1.11A 4gh8A-1ekqA:
undetectable		 4gh8A-1ekqA:
21.56
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.
1gng GLYCOGEN SYNTHASE
KINASE-3 BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 177
SER A 242
ILE A 182
ASN A 186
LEU A 198
 None
 0.82A 4gh8A-1gngA:
undetectable		 4gh8A-1gngA:
16.40
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
LEU A  37
SER A  58
LEU A  63
ARG A  66
 None
None
NDP  A 194 ( 3.9A)
None
None
 0.72A 4gh8A-1juvA:
18.1		 4gh8A-1juvA:
26.83
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
LEU A  37
SER A  58
PRO A  60
ARG A  66
 None
None
NDP  A 194 ( 3.9A)
None
None
 0.82A 4gh8A-1juvA:
18.1		 4gh8A-1juvA:
26.83
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ILE A 128
LEU A  35
SER A  74
ILE A 439
LEU A 352
 None
 1.14A 4gh8A-1k7hA:
2.1		 4gh8A-1k7hA:
15.35
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.
1l5x SURVIVAL PROTEIN E

(Pyrobaculum
aerophilum) 		PF01975
(SurE) 		5 ILE A 168
ALA A 122
LEU A 239
SER A 106
ILE A 103
 None
 1.10A 4gh8A-1l5xA:
undetectable		 4gh8A-1l5xA:
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ILE A 289
ALA A 263
ILE A 337
PRO A 338
LEU A 328
 None
 1.14A 4gh8A-1lq2A:
undetectable		 4gh8A-1lq2A:
15.18
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.
1rr9 ATP-DEPENDENT
PROTEASE LA

(Escherichia
coli) 		PF05362
(Lon_C) 		5 ALA A 725
ILE A 736
PRO A 737
ASN A 740
LEU A 744
 None
 0.91A 4gh8A-1rr9A:
undetectable		 4gh8A-1rr9A:
22.97
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.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE

(Staphylococcus
aureus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ILE A 286
LEU A 281
SER A 229
ILE A 300
LEU A 169
 None
 0.97A 4gh8A-1tvzA:
undetectable		 4gh8A-1tvzA:
18.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		9 ILE A   7
ALA A   9
SER A  59
ILE A  60
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.68A 4gh8A-1u70A:
21.6		 4gh8A-1u70A:
36.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		9 ILE A   7
ALA A   9
SER A  59
ILE A  60
PRO A  61
ASN A  64
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.5A)
None
None
None
 0.39A 4gh8A-1u71A:
22.1		 4gh8A-1u71A:
35.83
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.
1x9z DNA MISMATCH REPAIR
PROTEIN MUTL

(Escherichia
coli) 		PF08676
(MutL_C) 		5 ILE A 523
ALA A 525
ILE A 557
PRO A 554
LEU A 546
 None
 1.03A 4gh8A-1x9zA:
undetectable		 4gh8A-1x9zA:
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 ILE A 158
ALA A 100
SER A  72
ILE A  73
LEU A 153
 None
 1.17A 4gh8A-1xocA:
undetectable		 4gh8A-1xocA:
16.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.68A 4gh8A-1zdrA:
24.6		 4gh8A-1zdrA:
39.16
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
SER A 117
ILE A 121
LEU A 128
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-2.9A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 1.43A 4gh8A-2blbA:
21.3		 4gh8A-2blbA:
24.69
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ALA A  15
ASP A  53
SER A 120
ILE A 121
PRO A 122
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.64A 4gh8A-2blbA:
21.3		 4gh8A-2blbA:
24.69
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.
2drh 361AA LONG
HYPOTHETICAL
D-AMINOPEPTIDASE

(Pyrococcus
horikoshii) 		PF03576
(Peptidase_S58) 		5 ILE A 280
ALA A  71
LEU A 132
ILE A  55
LEU A  98
 None
 1.09A 4gh8A-2drhA:
undetectable		 4gh8A-2drhA:
19.67
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.
2f4z TGTWINSCAN_2721 - E2
DOMAIN

(Toxoplasma
gondii) 		PF00179
(UQ_con) 		5 ILE A  44
MET A 111
ILE A 100
PRO A 101
LEU A  37
 None
 1.00A 4gh8A-2f4zA:
undetectable		 4gh8A-2f4zA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ASP A  48
SER A  83
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.56A 4gh8A-2h2qA:
20.5		 4gh8A-2h2qA:
18.79
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
SER A  83
ILE A  84
PRO A  85
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 ( 4.4A)
None
None
None
None
None
 0.65A 4gh8A-2h2qA:
20.5		 4gh8A-2h2qA:
18.79
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
ASP A  32
LEU A  33
SER A  61
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.53A 4gh8A-2oipA:
21.2		 4gh8A-2oipA:
16.46
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.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 443
ALA A 399
LEU A 555
ILE A 531
PRO A 528
 None
 1.17A 4gh8A-2panA:
undetectable		 4gh8A-2panA:
14.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.57A 4gh8A-2qk8A:
24.8		 4gh8A-2qk8A:
39.63
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.
2uy3 ENDOCHITINASE

(Saccharomyces
cerevisiae) 		PF00704
(Glyco_hydro_18) 		5 ILE A 273
ALA A 271
LEU A 307
ILE A 260
LEU A 248
 None
 1.10A 4gh8A-2uy3A:
undetectable		 4gh8A-2uy3A:
20.70
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 168
ALA A  85
MET A  80
ILE A  76
LEU A  65
 None
 0.98A 4gh8A-2v7bA:
undetectable		 4gh8A-2v7bA:
16.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
ASP A  31
LEU A  32
SER A  53
PRO A  55
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.60A 4gh8A-2w3wA:
25.7		 4gh8A-2w3wA:
35.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.65A 4gh8A-2w9sA:
25.1		 4gh8A-2w9sA:
37.20
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.
2y2c 1,6-ANHYDRO-N-ACETYL
MURAMYL-L-ALANINE
AMIDASE AMPD

(Citrobacter
freundii) 		PF01510
(Amidase_2) 		5 ILE A 113
ALA A  74
SER A 100
ILE A 157
ASN A 156
 None
 1.07A 4gh8A-2y2cA:
undetectable		 4gh8A-2y2cA:
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  23
ILE A 367
PRO A 366
ASN A 394
LEU A 393
 None
 1.07A 4gh8A-3d46A:
undetectable		 4gh8A-3d46A:
18.20
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
ASP A  26
LEU A  27
SER A  48
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.78A 4gh8A-3dfrA:
24.0		 4gh8A-3dfrA:
29.94
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
LEU A  27
SER A  48
PRO A  50
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.6A)
 0.76A 4gh8A-3dfrA:
24.0		 4gh8A-3dfrA:
29.94
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		9 ILE A  14
ALA A  16
ASP A  54
SER A 111
ILE A 112
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.50A 4gh8A-3dg8A:
21.8		 4gh8A-3dg8A:
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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 ILE A 162
SER A 227
ILE A 167
ASN A 171
LEU A 183
 None
None
None
DRK  A 384 ( 4.6A)
None
 0.83A 4gh8A-3eb0A:
undetectable		 4gh8A-3eb0A:
19.47
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.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 ILE A 165
ALA A 169
LEU A 177
ILE A  73
LEU A 158
 None
 0.89A 4gh8A-3f9kA:
undetectable		 4gh8A-3f9kA:
20.93
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ILE A 533
ALA A 493
LEU A 484
ILE A 540
ASN A 542
 None
 1.11A 4gh8A-3fawA:
undetectable		 4gh8A-3fawA:
10.78
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.
3hhf TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		no annotation 5 ILE B 167
LEU B 226
ILE B 214
PRO B 216
ASN B 200
 None
 0.99A 4gh8A-3hhfB:
undetectable		 4gh8A-3hhfB:
22.65
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.
3hko CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 2
CALMODULIN-LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 ILE A 171
SER A 243
ILE A 176
ASN A 180
LEU A 193
 None
 0.94A 4gh8A-3hkoA:
undetectable		 4gh8A-3hkoA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		5 ILE A  64
LEU A 107
SER A 125
ILE A 124
LEU A 117
 None
 1.09A 4gh8A-3hpdA:
undetectable		 4gh8A-3hpdA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
LEU X  28
SER X  49
ILE X  50
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
 0.72A 4gh8A-3i8aX:
24.9		 4gh8A-3i8aX:
36.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
SER X  49
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
None
 0.87A 4gh8A-3i8aX:
24.9		 4gh8A-3i8aX:
36.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
MET A  21
LEU A  29
SER A  50
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.68A 4gh8A-3ia4A:
27.2		 4gh8A-3ia4A:
54.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ILE A   8
ALA A  10
LEU A  31
LEU A  58
ARG A  61
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.64A 4gh8A-3ix9A:
24.6		 4gh8A-3ix9A:
34.55
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.
3jaf GLYCINE RECEPTOR
SUBUNIT ALPHAZ1

(Danio rerio) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 ILE A 169
LEU A 211
ILE A  59
LEU A 172
TYR A  74
 None
 1.07A 4gh8A-3jafA:
undetectable		 4gh8A-3jafA:
17.25
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
ASP A  37
SER A  72
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
None
 0.66A 4gh8A-3kjrA:
22.0		 4gh8A-3kjrA:
17.12
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 SER A  72
ILE A  73
PRO A  74
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 ( 4.2A)
None
None
None
None
None
 0.85A 4gh8A-3kjrA:
22.0		 4gh8A-3kjrA:
17.12
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.
3q98 TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A  64
ALA A  88
ILE A 368
PRO A 365
LEU A 159
 None
 1.11A 4gh8A-3q98A:
undetectable		 4gh8A-3q98A:
18.84
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
ASP A  54
SER A  89
PRO A  91
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.3A)
None
None
None
 0.43A 4gh8A-3rg9A:
20.3		 4gh8A-3rg9A:
28.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		5 ALA A   7
SER A  50
ILE A  51
LEU A  55
ARG A  58
 NDP  A1001 ( 4.1A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 1.10A 4gh8A-3tq9A:
25.3		 4gh8A-3tq9A:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.53A 4gh8A-3tq9A:
25.3		 4gh8A-3tq9A:
41.67
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
ASP A  54
SER A 111
ILE A 112
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
None
 0.72A 4gh8A-3um6A:
21.7		 4gh8A-3um6A:
13.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
ASP A  28
SER A  56
ILE A  57
PRO A  58
LEU A  64
ARG A  67
TYR A 117
 None
 0.49A 4gh8A-3vcoA:
19.3		 4gh8A-3vcoA:
30.35
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.
3ve2 TRANSFERRIN-BINDING
PROTEIN 2

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 ASP A 383
LEU A 382
PRO A 170
ASN A 287
LEU A 174
 None
 1.17A 4gh8A-3ve2A:
undetectable		 4gh8A-3ve2A:
13.63
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.
3w3a V-TYPE ATP SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ILE D 135
ALA D 171
LEU D 144
ILE D 152
PRO D 312
 None
 1.12A 4gh8A-3w3aD:
undetectable		 4gh8A-3w3aD:
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.
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C

(Homo sapiens) 		PF00560
(LRR_1)
PF07679
(I-set)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ILE A  91
LEU A  67
ILE A  74
PRO A  48
LEU A  81
 None
 1.12A 4gh8A-3zyjA:
undetectable		 4gh8A-3zyjA:
14.52
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.
4b99 MITOGEN-ACTIVATED
PROTEIN KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 341
MET A 327
LEU A 170
ILE A 251
LEU A 188
 None
 1.10A 4gh8A-4b99A:
undetectable		 4gh8A-4b99A:
17.34
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.
4e7w GLYCOGEN SYNTHASE
KINASE 3

(Ustilago maydis) 		PF00069
(Pkinase) 		5 ILE A 158
SER A 223
ILE A 163
ASN A 167
LEU A 179
 None
 0.90A 4gh8A-4e7wA:
undetectable		 4gh8A-4e7wA:
18.18
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 ILE A1340
SER A1324
ILE A1325
PRO A1326
ASN A1331
 None
 1.08A 4gh8A-4fbqA:
undetectable		 4gh8A-4fbqA:
13.11
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.
4fle ESTERASE

(Yersinia
enterocolitica) 		PF05728
(UPF0227) 		5 ALA A  49
MET A 129
LEU A  71
ILE A 123
LEU A 118
 None
 1.09A 4gh8A-4fleA:
undetectable		 4gh8A-4fleA:
22.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		9 ILE X  10
ALA X  12
SER X  64
ILE X  65
PRO X  66
ASN X  69
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
None
None
 0.80A 4gh8A-4g8zX:
21.0		 4gh8A-4g8zX:
31.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
MET A  25
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
 0.61A 4gh8A-4h96A:
18.6		 4gh8A-4h96A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
MET A  25
SER A  61
ILE A  62
PRO A  63
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
NDP  A 201 (-3.9A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
None
 0.66A 4gh8A-4h96A:
18.6		 4gh8A-4h96A:
33.33
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
SER A  61
ILE A  62
PRO A  63
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
None
None
 0.54A 4gh8A-4h98A:
19.7		 4gh8A-4h98A:
27.35
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.
4hi0 UREASE ACCESSORY
PROTEIN UREH

(Helicobacter
pylori) 		PF01774
(UreD) 		5 ILE B 207
ALA B 254
LEU B 200
SER B 219
ILE B 216
 None
 1.17A 4gh8A-4hi0B:
undetectable		 4gh8A-4hi0B:
19.84
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.
4ir8 SEDOHEPTULOSE-1,7
BISPHOSPHATASE,
PUTATIVE

(Toxoplasma
gondii) 		PF00316
(FBPase) 		5 ILE A 156
ASP A 110
SER A 209
ASN A 259
LEU A 310
 None
 1.15A 4gh8A-4ir8A:
undetectable		 4gh8A-4ir8A:
17.71
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.
4jfc ENOYL-COA HYDRATASE

(Polaromonas sp.
JS666) 		PF00378
(ECH_1) 		5 ILE A  31
LEU A  16
SER A  93
ILE A  94
LEU A 116
 None
 1.06A 4gh8A-4jfcA:
undetectable		 4gh8A-4jfcA:
18.79
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36)
PF07504
(FTP) 		5 ALA B  48
ILE A 603
ASN A 599
LEU A 566
TYR B  45
 None
 1.06A 4gh8A-4k90B:
undetectable		 4gh8A-4k90B:
21.43
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.
4lab RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE B

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		5 ALA A 235
ASP A 233
ILE A 218
PRO A 219
LEU A 118
 None
 0.88A 4gh8A-4labA:
undetectable		 4gh8A-4labA:
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.
4lgv GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Mycobacterium
avium) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 ILE A  44
LEU A  95
ILE A 123
ASN A 126
LEU A 127
 None
 0.98A 4gh8A-4lgvA:
undetectable		 4gh8A-4lgvA:
15.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
SER A  49
PRO A  51
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.6A)
TMQ  A 202 (-4.2A)
None
None
None
 0.36A 4gh8A-4m2xA:
23.9		 4gh8A-4m2xA:
36.69
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.
4m7e BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		no annotation 5 ASP D 122
LEU D 121
ILE D 132
PRO D 133
LEU D 160
 None
 1.16A 4gh8A-4m7eD:
undetectable		 4gh8A-4m7eD:
16.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LEU A  55
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.69A 4gh8A-4m7vA:
24.0		 4gh8A-4m7vA:
36.52
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.
4nb0 METALLOTHIOL
TRANSFERASE FOSB

(Staphylococcus
aureus) 		PF00903
(Glyoxalase) 		5 ILE A  71
ALA A  43
LEU A 114
ILE A  25
LEU A  83
 None
 1.06A 4gh8A-4nb0A:
undetectable		 4gh8A-4nb0A:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
MET A  20
ASP A  27
SER A  49
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.49A 4gh8A-4p68A:
29.0		 4gh8A-4p68A:
94.44
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.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 5 ILE A 403
ASP A 349
LEU A 348
ILE A 362
LEU A 391
 None
 1.14A 4gh8A-4rmxA:
undetectable		 4gh8A-4rmxA:
12.46
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.
4uqw PROTEIN CLPV1

(Pseudomonas
aeruginosa) 		PF02861
(Clp_N) 		5 ILE A  45
LEU A 131
SER A  60
ILE A  62
LEU A  67
 None
 1.16A 4gh8A-4uqwA:
undetectable		 4gh8A-4uqwA:
22.09
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 5 ILE E 553
ASP E 534
LEU E 533
ILE E 397
LEU E 631
 None
 1.06A 4gh8A-4xmmE:
undetectable		 4gh8A-4xmmE:
9.75
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.
4y67 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE,
APICOPLAST

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 ALA A 193
LEU A 219
SER A 207
ILE A 208
LEU A 322
 None
 1.17A 4gh8A-4y67A:
undetectable		 4gh8A-4y67A:
17.14
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ILE A2678
ALA A2502
LEU A2568
ILE A2756
LEU A2685
 None
 1.15A 4gh8A-4z37A:
undetectable		 4gh8A-4z37A:
13.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   6
SER A  66
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
 0.87A 4gh8A-5dxvA:
16.7		 4gh8A-5dxvA:
66.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
 0.45A 4gh8A-5dxvA:
16.7		 4gh8A-5dxvA:
66.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
LEU A  45
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
PEG  A 202 (-4.2A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
 0.76A 4gh8A-5dxvA:
16.7		 4gh8A-5dxvA:
66.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
SER A  50
ILE A  51
LEU A  55
TYR A 101
 None
 0.52A 4gh8A-5fdaA:
19.0		 4gh8A-5fdaA:
77.91
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.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ALA A 634
LEU A 631
ILE A 642
PRO A 643
LEU A 671
 None
 1.17A 4gh8A-5gr8A:
undetectable		 4gh8A-5gr8A:
10.70
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.
5ixq RECEPTOR-LIKE
PROTEIN KINASE 5

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ALA A 531
LEU A 528
ILE A 539
PRO A 540
LEU A 567
 NAG  A 712 ( 4.8A)
None
None
None
None
 0.94A 4gh8A-5ixqA:
undetectable		 4gh8A-5ixqA:
12.36
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.
5iyx SOMATIC
EMBRYOGENESIS
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ASP C 123
LEU C 122
ILE C 133
PRO C 134
LEU C 161
 None
 1.09A 4gh8A-5iyxC:
undetectable		 4gh8A-5iyxC:
22.61
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.
5k3h ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ILE A 304
ALA A 351
LEU A 615
ILE A 312
LEU A 625
 None
 1.11A 4gh8A-5k3hA:
undetectable		 4gh8A-5k3hA:
14.78
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.
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 412
SER A 449
ILE A 390
ASN A 394
LEU A 405
 None
 1.07A 4gh8A-5kbrA:
undetectable		 4gh8A-5kbrA:
18.62
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.
5nof ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ILE A 171
ALA A  56
LEU A  21
ILE A  33
LEU A  37
 None
 1.06A 4gh8A-5nofA:
undetectable		 4gh8A-5nofA:
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.
5ot4 INTERAPTIN

(Legionella
pneumophila) 		no annotation 5 ILE A 505
ALA A 488
LEU A 460
ILE A 475
LEU A 467
 None
 1.12A 4gh8A-5ot4A:
undetectable		 4gh8A-5ot4A:
14.81
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
ASP A  31
SER A  86
PRO A  88
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
None
None
None
 0.47A 4gh8A-5t0lA:
22.2		 4gh8A-5t0lA:
14.71
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.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 5 ILE A  17
ALA A  14
LEU A 100
PRO A 111
LEU A  64
 None
 1.17A 4gh8A-5wkaA:
undetectable		 4gh8A-5wkaA:
17.68
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 ILE A 151
SER A  39
ILE A  40
ASN A 356
LEU A  80
 None
SO4  A 603 (-2.6A)
None
None
None
 1.15A 4gh8A-6bszA:
3.1		 4gh8A-6bszA:
18.75
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ALA A   8
ASP A  28
LEU A  29
SER A  50
PRO A  52
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.71A 4gh8A-6cxmA:
22.6		 4gh8A-6cxmA:
26.22
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.
6e4e -

(-) 		no annotation 6 ALA A   7
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.61A 4gh8A-6e4eA:
24.9		 4gh8A-6e4eA:
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.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
 0.98A 4gh8A-6e4eA:
24.9		 4gh8A-6e4eA:
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.
1b3q PROTEIN (CHEMOTAXIS
PROTEIN CHEA)

(Thermotoga
maritima) 		PF01584
(CheW)
PF02518
(HATPase_c)
PF02895
(H-kinase_dim) 		3 LYS A 302
ILE A 353
THR A 394
 None
 0.87A 4gh8A-1b3qA:
undetectable		 4gh8A-1b3qA:
17.55
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.
1d1z SAP SH2 DOMAIN

(Homo sapiens) 		PF00017
(SH2) 		3 LYS A1089
ILE A1096
THR A1068
 None
 0.81A 4gh8A-1d1zA:
undetectable		 4gh8A-1d1zA:
18.52
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.
1dex RHAMNOGALACTURONAN
ACETYLESTERASE

(Aspergillus
aculeatus) 		PF13472
(Lipase_GDSL_2) 		3 LYS A 220
ILE A 129
THR A   1
 None
 0.65A 4gh8A-1dexA:
0.9		 4gh8A-1dexA:
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.
1dkr PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE

(Bacillus
subtilis) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		3 LYS A  10
ILE A 302
THR A 127
 None
 0.88A 4gh8A-1dkrA:
2.4		 4gh8A-1dkrA:
21.12
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.
1dlc DELTA-ENDOTOXIN
CRYIIIA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		3 LYS A  63
ILE A  70
THR A 195
 None
 0.88A 4gh8A-1dlcA:
0.0		 4gh8A-1dlcA:
13.70
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.
1ea9 CYCLOMALTODEXTRINASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		3 LYS C   1
ILE C  27
THR C  61
 None
 0.87A 4gh8A-1ea9C:
undetectable		 4gh8A-1ea9C:
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.
1f7u ARGINYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		3 LYS A 121
ILE A  31
THR A 129
 None
 0.75A 4gh8A-1f7uA:
undetectable		 4gh8A-1f7uA:
14.69
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.
1ff9 SACCHAROPINE
REDUCTASE

(Magnaporthe
grisea) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		3 LYS A 408
ILE A  73
THR A 118
 None
 0.75A 4gh8A-1ff9A:
1.7		 4gh8A-1ff9A:
15.44
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.
1fw1 GLUTATHIONE
TRANSFERASE ZETA

(Homo sapiens) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		3 LYS A 177
ILE A 135
THR A 181
 None
 0.84A 4gh8A-1fw1A:
undetectable		 4gh8A-1fw1A:
22.02
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.
1g1a DTDP-D-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		3 LYS A 329
ILE A 280
THR A 272
 None
 0.85A 4gh8A-1g1aA:
undetectable		 4gh8A-1g1aA:
17.76
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.
1g1k SCAFFOLDING PROTEIN

([Clostridium]
cellulolyticum) 		PF00963
(Cohesin) 		3 LYS A 101
ILE A  98
THR A 111
 None
 0.86A 4gh8A-1g1kA:
undetectable		 4gh8A-1g1kA:
22.81
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00355
(Rieske) 		3 LYS B  74
ILE B  94
THR B  67
 None
 0.82A 4gh8A-1g8kB:
undetectable		 4gh8A-1g8kB:
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.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 LYS A 136
ILE A 113
THR A 102
 None
 0.63A 4gh8A-1guzA:
undetectable		 4gh8A-1guzA:
20.45
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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 LYS A 136
ILE A 113
THR A 102
 None
 0.82A 4gh8A-1gv0A:
undetectable		 4gh8A-1gv0A:
21.97
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.
1hjo PROTEIN (HEAT-SHOCK
70KD PROTEIN)

(Homo sapiens) 		PF00012
(HSP70) 		3 LYS A 246
ILE A 291
THR A 295
 None
 0.81A 4gh8A-1hjoA:
undetectable		 4gh8A-1hjoA:
17.63
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.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		3 LYS A 164
ILE A 232
THR A 264
 None
 0.82A 4gh8A-1hkhA:
undetectable		 4gh8A-1hkhA:
20.85
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.
1hno D3,D2-ENOYL COA
ISOMERASE ECI1

(Saccharomyces
cerevisiae) 		PF00378
(ECH_1) 		3 LYS A 246
ILE A 241
THR A 105
 None
 0.81A 4gh8A-1hnoA:
undetectable		 4gh8A-1hnoA:
17.67
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.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		3 LYS A 237
ILE A 283
THR A 278
 None
 0.82A 4gh8A-1ia5A:
undetectable		 4gh8A-1ia5A:
16.77
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		3 LYS A 109
ILE A 117
THR A 122
 None
 0.87A 4gh8A-1j0aA:
undetectable		 4gh8A-1j0aA:
19.67
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.
1jiu DNA
BETA-GLUCOSYLTRANSFE
RASE

(Escherichia
virus T4) 		PF09198
(T4-Gluco-transf) 		3 LYS A 259
ILE A 143
THR A 267
 None
None
UDP  A 353 ( 4.6A)
 0.81A 4gh8A-1jiuA:
2.0		 4gh8A-1jiuA:
19.94
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.
1l0q SURFACE LAYER
PROTEIN

(Methanosarcina
mazei) 		PF00801
(PKD)
PF10282
(Lactonase) 		3 LYS A 113
ILE A 143
THR A 139
 None
 0.78A 4gh8A-1l0qA:
undetectable		 4gh8A-1l0qA:
16.84
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		3 LYS A  64
ILE A 283
THR A 275
 None
 0.83A 4gh8A-1l2qA:
undetectable		 4gh8A-1l2qA:
15.40
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		3 LYS A 481
ILE A 462
THR A 359
 None
 0.86A 4gh8A-1lnsA:
undetectable		 4gh8A-1lnsA:
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.
1lvm CATALYTIC DOMAIN OF
THE NUCLEAR
INCLUSION PROTEIN A
(NIA)

(Tobacco etch
virus) 		PF00863
(Peptidase_C4) 		3 LYS A 141
ILE A 109
THR A 146
 None
 0.85A 4gh8A-1lvmA:
undetectable		 4gh8A-1lvmA:
19.12
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.
1mk7 TALIN

(Gallus gallus) 		PF00373
(FERM_M)
PF02174
(IRS) 		3 LYS B 343
ILE B 348
THR B 307
 None
 0.68A 4gh8A-1mk7B:
undetectable		 4gh8A-1mk7B:
22.28
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.
1nhc POLYGALACTURONASE I

(Aspergillus
niger) 		PF00295
(Glyco_hydro_28) 		3 LYS A 245
ILE A 212
THR A 265
 None
 0.88A 4gh8A-1nhcA:
undetectable		 4gh8A-1nhcA:
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.
1o20 GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Thermotoga
maritima) 		PF00171
(Aldedh) 		3 LYS A  32
ILE A  86
THR A 132
 None
 0.83A 4gh8A-1o20A:
undetectable		 4gh8A-1o20A:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1omx ALPHA-1,4-N-ACETYLHE
XOSAMINYLTRANSFERASE
EXTL2

(Mus musculus) 		PF09258
(Glyco_transf_64) 		3 LYS A 182
ILE A 297
THR A 254
 None
 0.87A 4gh8A-1omxA:
undetectable		 4gh8A-1omxA:
21.76
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.
1pgp 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Ovis aries) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		3 LYS A 146
ILE A  96
THR A 108
 None
 0.84A 4gh8A-1pgpA:
2.5		 4gh8A-1pgpA:
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.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		3 LYS A 103
ILE A 115
THR A  49
 None
 0.83A 4gh8A-1qh5A:
undetectable		 4gh8A-1qh5A:
21.40
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		3 LYS A 352
ILE A 405
THR A 400
 None
 0.76A 4gh8A-1qu2A:
undetectable		 4gh8A-1qu2A:
10.70
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.
1sh2 RNA POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		3 LYS A  68
ILE A 294
THR A   7
 None
 0.86A 4gh8A-1sh2A:
undetectable		 4gh8A-1sh2A:
14.90
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.
1t0i YLR011WP

(Saccharomyces
cerevisiae) 		PF03358
(FMN_red) 		3 LYS A 154
ILE A  19
THR A 159
 None
 0.78A 4gh8A-1t0iA:
2.6		 4gh8A-1t0iA:
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.
1t0y TUBULIN FOLDING
COFACTOR B

(Caenorhabditis
elegans) 		PF14560
(Ubiquitin_2) 		3 LYS A  34
ILE A  48
THR A  14
 None
 0.86A 4gh8A-1t0yA:
undetectable		 4gh8A-1t0yA:
18.90
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.
1t90 PROBABLE
METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00171
(Aldedh) 		3 LYS A 397
ILE A 429
THR A 416
 None
 0.83A 4gh8A-1t90A:
undetectable		 4gh8A-1t90A:
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.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		3 LYS C  48
ILE C  53
THR C  86
 None
 0.85A 4gh8A-1u6gC:
undetectable		 4gh8A-1u6gC:
8.47
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.
1u6g TIP120 PROTEIN

(Homo sapiens) 		PF08623
(TIP120) 		3 LYS C 577
ILE C 581
THR C 624
 None
 0.87A 4gh8A-1u6gC:
undetectable		 4gh8A-1u6gC:
8.47
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.
1uwx ANTIBODY

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 LYS K  72
ILE K  31
THR K  54
 None
 0.86A 4gh8A-1uwxK:
undetectable		 4gh8A-1uwxK:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		3 LYS A 372
ILE A 361
THR A 357
 None
 0.78A 4gh8A-1uwyA:
undetectable		 4gh8A-1uwyA:
17.12
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.
1viw ALPHA-AMYLASE-INHIBI
TOR

(Phaseolus
vulgaris) 		PF00139
(Lectin_legB) 		3 LYS B 203
ILE B  51
THR B  56
 None
 0.70A 4gh8A-1viwB:
undetectable		 4gh8A-1viwB:
20.29
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 LYS A 226
ILE A 197
THR A 189
 None
 0.80A 4gh8A-1vljA:
undetectable		 4gh8A-1vljA:
16.09
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.
1vrp CREATINE KINASE, M
CHAIN

(Tetronarce
californica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		3 LYS A  86
ILE A  56
THR A  35
 None
 0.82A 4gh8A-1vrpA:
undetectable		 4gh8A-1vrpA:
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		3 LYS A 469
ILE A 411
THR A 491
 None
 0.85A 4gh8A-1w6sA:
undetectable		 4gh8A-1w6sA:
12.61
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		3 LYS A 248
ILE A 322
THR A 288
 None
 0.77A 4gh8A-1wn1A:
undetectable		 4gh8A-1wn1A:
20.17
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.
1xq1 PUTATIVE TROPINONE
REDUCATSE

(Arabidopsis
thaliana) 		PF13561
(adh_short_C2) 		3 LYS A 139
ILE A 146
THR A  16
 None
 0.74A 4gh8A-1xq1A:
2.5		 4gh8A-1xq1A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y0u ARSENICAL RESISTANCE
OPERON REPRESSOR,
PUTATIVE

(Archaeoglobus
fulgidus) 		PF12840
(HTH_20) 		3 LYS A  63
ILE A  34
THR A  81
 None
 0.69A 4gh8A-1y0uA:
undetectable		 4gh8A-1y0uA:
17.07
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.
1y9k IAA
ACETYLTRANSFERASE

(Bacillus cereus) 		PF00583
(Acetyltransf_1) 		3 LYS A  79
ILE A  65
THR A  87
 None
 0.83A 4gh8A-1y9kA:
undetectable		 4gh8A-1y9kA:
22.09
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.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		3 LYS A  81
ILE A  85
THR A  49
 None
 0.86A 4gh8A-1z34A:
undetectable		 4gh8A-1z34A:
22.32
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.
1z6m CONSERVED
HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13462
(Thioredoxin_4) 		3 LYS A  10
ILE A 151
THR A  15
 None
 0.73A 4gh8A-1z6mA:
undetectable		 4gh8A-1z6mA:
23.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		3 LYS A  32
ILE A  96
THR A 115
 SO4  A3484 (-3.1A)
None
None
 0.38A 4gh8A-1zdrA:
24.6		 4gh8A-1zdrA:
39.16
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.
1zhv HYPOTHETICAL PROTEIN
ATU0741

(Agrobacterium
fabrum) 		PF13840
(ACT_7) 		3 LYS A   8
ILE A   5
THR A 115
 None
 0.73A 4gh8A-1zhvA:
undetectable		 4gh8A-1zhvA:
19.51
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.
2aqw PUTATIVE
OROTIDINE-MONOPHOSPH
ATE-DECARBOXYLASE

(Plasmodium
yoelii) 		PF00215
(OMPdecase) 		3 LYS A 196
ILE A 264
THR A 166
 None
 0.55A 4gh8A-2aqwA:
undetectable		 4gh8A-2aqwA:
16.27
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.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		3 LYS A 404
ILE A  72
THR A 117
 None
 0.81A 4gh8A-2axqA:
undetectable		 4gh8A-2axqA:
15.73
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.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		3 LYS A 529
ILE A 464
THR A 572
 None
 0.88A 4gh8A-2b8eA:
undetectable		 4gh8A-2b8eA:
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.
2b9s DNA TOPOISOMERASE
I-LIKE PROTEIN
TOPOISOMERASE I-LIKE
PROTEIN

(Leishmania
donovani) 		PF01028
(Topoisom_I)
PF02919
(Topoisom_I_N)
PF14370
(Topo_C_assoc) 		3 LYS B 211
ILE A 449
THR B 217
 None
 0.80A 4gh8A-2b9sB:
undetectable		 4gh8A-2b9sB:
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.
2ba0 ARCHAEAL EXOSOME RNA
BINDING PROTEIN RRP4

(Archaeoglobus
fulgidus) 		PF00575
(S1)
PF14382
(ECR1_N)
PF15985
(KH_6) 		3 LYS A   2
ILE A  34
THR A  22
 None
 0.86A 4gh8A-2ba0A:
undetectable		 4gh8A-2ba0A:
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		3 LYS A 204
ILE A 182
THR A  29
 None
 0.80A 4gh8A-2bufA:
undetectable		 4gh8A-2bufA:
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.
2c0h MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Mytilus edulis) 		PF00150
(Cellulase) 		3 LYS A 292
ILE A 306
THR A 246
 None
 0.86A 4gh8A-2c0hA:
undetectable		 4gh8A-2c0hA:
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		3 LYS A 228
ILE A 240
THR A 308
 None
 0.74A 4gh8A-2cn3A:
undetectable		 4gh8A-2cn3A:
13.32
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.
2cz4 HYPOTHETICAL PROTEIN
TTHA0516

(Thermus
thermophilus) 		no annotation 3 LYS A  19
ILE A  56
THR A  60
 None
None
ACT  A 303 (-4.4A)
 0.87A 4gh8A-2cz4A:
undetectable		 4gh8A-2cz4A:
19.64
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.
2da0 130-KDA
PHOSPHATIDYLINOSITOL
4,5-BIPHOSPHATE-DEPE
NDENT ARF1
GTPASE-ACTIVATING
PROTEIN

(Homo sapiens) 		PF00169
(PH) 		3 LYS A  19
ILE A  41
THR A  45
 None
 0.82A 4gh8A-2da0A:
undetectable		 4gh8A-2da0A:
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.
2e5f HYPOTHETICAL PROTEIN
PH0510

(Pyrococcus
horikoshii) 		PF01380
(SIS) 		3 LYS A 166
ILE A  15
THR A 140
 None
 0.78A 4gh8A-2e5fA:
undetectable		 4gh8A-2e5fA:
18.95
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.
2ep5 350AA LONG
HYPOTHETICAL
ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 LYS A 202
ILE A 198
THR A 176
 None
 0.68A 4gh8A-2ep5A:
undetectable		 4gh8A-2ep5A:
18.60
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.
2fna CONSERVED
HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF01637
(ATPase_2) 		3 LYS A 303
ILE A 324
THR A 332
 None
 0.79A 4gh8A-2fnaA:
undetectable		 4gh8A-2fnaA:
21.02
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.
2fuq HEPARINASE II
PROTEIN

(Pedobacter
heparinus) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		3 LYS A 397
ILE A 509
THR A 524
 None
 0.87A 4gh8A-2fuqA:
undetectable		 4gh8A-2fuqA:
11.93
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.
2gp6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		3 LYS A 341
ILE A  42
THR A  31
 None
 0.88A 4gh8A-2gp6A:
undetectable		 4gh8A-2gp6A:
16.55
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.
2guu ODCASE

(Plasmodium
vivax) 		PF00215
(OMPdecase) 		3 LYS A 224
ILE A 292
THR A 194
 None
 0.60A 4gh8A-2guuA:
undetectable		 4gh8A-2guuA:
17.61
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.
2h57 ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
6

(Homo sapiens) 		PF00025
(Arf) 		3 LYS A  85
ILE A  90
THR A  66
 None
 0.88A 4gh8A-2h57A:
1.7		 4gh8A-2h57A:
17.99
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.
2hmf PROBABLE
ASPARTOKINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		3 LYS A 462
ILE A 407
THR A 237
 None
 0.86A 4gh8A-2hmfA:
undetectable		 4gh8A-2hmfA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hpw GREEN FLUORESCENT
PROTEIN

(Clytia gregaria) 		PF01353
(GFP) 		3 LYS A 127
ILE A  98
THR A  62
 None
 0.76A 4gh8A-2hpwA:
undetectable		 4gh8A-2hpwA:
22.95
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 LYS A 755
ILE A 752
THR A 439
 None
 0.81A 4gh8A-2iujA:
undetectable		 4gh8A-2iujA:
12.08
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		3 LYS A 767
ILE A 764
THR A 451
 None
 0.86A 4gh8A-2iukA:
undetectable		 4gh8A-2iukA:
11.22
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.
2iv0 ISOCITRATE
DEHYDROGENASE

(Archaeoglobus
fulgidus) 		PF00180
(Iso_dh) 		3 LYS A 131
ILE A 311
THR A 348
 None
 0.76A 4gh8A-2iv0A:
1.9		 4gh8A-2iv0A:
17.74
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.
2iw0 CHITIN DEACETYLASE

(Colletotrichum
lindemuthianum) 		PF01522
(Polysacc_deac_1) 		3 LYS A  64
ILE A 221
THR A 233
 None
 0.87A 4gh8A-2iw0A:
undetectable		 4gh8A-2iw0A:
20.65
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.
2ixo SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 1

(Saccharomyces
cerevisiae) 		PF03095
(PTPA) 		3 LYS A  76
ILE A 183
THR A  84
 None
 0.72A 4gh8A-2ixoA:
undetectable		 4gh8A-2ixoA:
17.52
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.
2m3c CRYSTALLIN, GAMMA M7

(Danio rerio) 		PF00030
(Crystall) 		3 LYS A  90
ILE A 168
THR A 172
 None
 0.78A 4gh8A-2m3cA:
undetectable		 4gh8A-2m3cA:
20.71
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.
2ncg RGA1E

(Aegilops
tauschii) 		no annotation 3 LYS A  41
ILE A   8
THR A 106
 None
 0.86A 4gh8A-2ncgA:
undetectable		 4gh8A-2ncgA:
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.
2nnu BROMODOMAIN-CONTAINI
NG PROTEIN 4
REGULATORY PROTEIN
E2

(Alphapapillomavirus
9;
Homo sapiens) 		PF00508
(PPV_E2_N)
PF17105
(BRD4_CDT) 		3 LYS B1343
ILE A  73
THR A  81
 None
 0.81A 4gh8A-2nnuB:
undetectable		 4gh8A-2nnuB:
13.08
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.
2nt2 PROTEIN PHOSPHATASE
SLINGSHOT HOMOLOG 2

(Homo sapiens) 		PF00782
(DSPc) 		3 LYS A 430
ILE A 404
THR A 309
 None
 0.61A 4gh8A-2nt2A:
undetectable		 4gh8A-2nt2A:
19.39
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.
2ou2 HISTONE
ACETYLTRANSFERASE
HTATIP

(Homo sapiens) 		PF01853
(MOZ_SAS) 		3 LYS A 399
ILE A 389
THR A 369
 None
 0.71A 4gh8A-2ou2A:
undetectable		 4gh8A-2ou2A:
21.32
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.
2p0u STILBENECARBOXYLATE
SYNTHASE 2

(Marchantia
polymorpha) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		3 LYS A 125
ILE A 145
THR A 149
 None
 0.80A 4gh8A-2p0uA:
undetectable		 4gh8A-2p0uA:
17.43
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		3 LYS A  96
ILE A  45
THR A  49
 None
 0.84A 4gh8A-2p4zA:
undetectable		 4gh8A-2p4zA:
19.93
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.
2qqh COMPLEMENT COMPONENT
C8 ALPHA CHAIN

(Homo sapiens) 		PF01823
(MACPF) 		3 LYS A 413
ILE A 320
THR A 268
 None
 0.87A 4gh8A-2qqhA:
undetectable		 4gh8A-2qqhA:
17.87
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.
2raq CONSERVED PROTEIN
MTH889

(Methanothermobacter
thermautotrophicus) 		PF02680
(DUF211) 		3 LYS A  52
ILE A  69
THR A  48
 None
 0.85A 4gh8A-2raqA:
undetectable		 4gh8A-2raqA:
20.27
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.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		3 LYS A 246
ILE A 291
THR A 295
 None
 0.76A 4gh8A-2v7zA:
undetectable		 4gh8A-2v7zA:
14.18
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		3 LYS A 216
ILE A 189
THR A 199
 None
 0.86A 4gh8A-2varA:
0.8		 4gh8A-2varA:
18.30
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.
2ve7 KINETOCHORE PROTEIN
HEC1, KINETOCHORE
PROTEIN SPC25

(Homo sapiens) 		PF03801
(Ndc80_HEC)
PF08234
(Spindle_Spc25) 		3 LYS A 115
ILE A  96
THR A 104
 None
 0.82A 4gh8A-2ve7A:
undetectable		 4gh8A-2ve7A:
20.51
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		3 LYS A 320
ILE A 253
THR A 343
 None
 0.73A 4gh8A-2vhlA:
undetectable		 4gh8A-2vhlA:
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.
2vrn PROTEASE I

(Deinococcus
radiodurans) 		PF01965
(DJ-1_PfpI) 		3 LYS A 109
ILE A 126
THR A 156
 None
 0.82A 4gh8A-2vrnA:
undetectable		 4gh8A-2vrnA:
22.84
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.
2vs0 VIRULENCE FACTOR
ESXA

(Staphylococcus
aureus) 		PF06013
(WXG100) 		3 LYS A  61
ILE A  25
THR A  33
 None
 0.78A 4gh8A-2vs0A:
undetectable		 4gh8A-2vs0A:
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		3 LYS A 534
ILE A 510
THR A 477
 None
 0.70A 4gh8A-2wkpA:
undetectable		 4gh8A-2wkpA:
18.55
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		3 LYS A  80
ILE A 249
THR A 138
 None
 0.77A 4gh8A-2wzsA:
undetectable		 4gh8A-2wzsA:
10.67
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.
2xa7 ADAPTOR-RELATED
PROTEIN COMPLEX 2,
ALPHA 2 SUBUNIT

(Rattus
norvegicus) 		PF01602
(Adaptin_N) 		3 LYS A 434
ILE A 468
THR A 445
 None
 0.87A 4gh8A-2xa7A:
undetectable		 4gh8A-2xa7A:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2za1 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Plasmodium
falciparum) 		PF00215
(OMPdecase) 		3 LYS A 193
ILE A 261
THR A 163
 None
None
OMP  A 500 ( 4.2A)
 0.65A 4gh8A-2za1A:
undetectable		 4gh8A-2za1A:
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		3 LYS A 615
ILE A 515
THR A 495
 None
 0.82A 4gh8A-2zj8A:
undetectable		 4gh8A-2zj8A:
13.66
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.
2zts PUTATIVE
UNCHARACTERIZED
PROTEIN PH0186

(Pyrococcus
horikoshii) 		PF06745
(ATPase) 		3 LYS A 163
ILE A 194
THR A  32
 None
 0.87A 4gh8A-2ztsA:
undetectable		 4gh8A-2ztsA:
20.72
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.
3b2t FIBROBLAST GROWTH
FACTOR RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 LYS A 601
ILE A 696
THR A 729
 None
 0.87A 4gh8A-3b2tA:
undetectable		 4gh8A-3b2tA:
19.62
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.
3b73 PHIH1 REPRESSOR-LIKE
PROTEIN

(Haloarcula
marismortui) 		no annotation 3 LYS A  49
ILE A  15
THR A  67
 None
 0.69A 4gh8A-3b73A:
undetectable		 4gh8A-3b73A:
19.62
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.
3bdd REGULATORY PROTEIN
MARR

(Streptococcus
suis) 		PF01047
(MarR) 		3 LYS A  66
ILE A  35
THR A  91
 None
 0.74A 4gh8A-3bddA:
undetectable		 4gh8A-3bddA:
18.82
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		3 LYS A 140
ILE A 125
THR A 220
 None
 0.84A 4gh8A-3bl6A:
undetectable		 4gh8A-3bl6A:
21.21