SIMILAR PATTERNS OF AMINO ACIDS FOR 4KR4_C_AICC401_1

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.
1del DEOXYNUCLEOSIDE
MONOPHOSPHATE KINASE

(Escherichia
virus T4) 		no annotation 4 LYS A  37
ARG A 132
ARG A  68
ASP A  15
 DGP  A 301 (-2.7A)
DGP  A 301 (-3.6A)
DGP  A 301 (-3.3A)
None
 1.37A 4kr4C-1delA:
0.0		 4kr4C-1delA:
21.41
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.
1e4y ADENYLATE KINASE

(Escherichia
coli) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 ARG A 156
ARG A 167
ASP A  84
ARG A  88
 AP5  A 215 (-2.8A)
AP5  A 215 (-2.8A)
AP5  A 215 ( 4.7A)
AP5  A 215 (-3.6A)
 1.41A 4kr4C-1e4yA:
0.0		 4kr4C-1e4yA:
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.
1euj ENDOTHELIAL MONOCYTE
ACTIVATING
POLYPEPTIDE 2

(Homo sapiens) 		PF01588
(tRNA_bind) 		4 ARG A  41
ARG A  12
ARG A 104
GLU A 117
 None
 1.04A 4kr4C-1eujA:
0.0		 4kr4C-1eujA:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gfn MATRIX PORIN OUTER
MEMBRANE PROTEIN F

(Escherichia
coli) 		PF00267
(Porin_1) 		4 LYS A  16
TYR A  40
ARG A  82
ARG A 132
 None
 0.88A 4kr4C-1gfnA:
35.6		 4kr4C-1gfnA:
55.68
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.
1njf DNA POLYMERASE III
SUBUNIT GAMMA

(Escherichia
coli) 		PF13177
(DNA_pol3_delta2) 		4 ARG A 215
ARG A  11
ARG A  56
ASP A  94
 AGS  A 402 (-3.3A)
AGS  A 402 (-3.0A)
None
None
 1.13A 4kr4C-1njfA:
0.0		 4kr4C-1njfA:
22.66
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.
1nyl GLUTAMINYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		4 ARG A 393
TYR A 400
ASP A 347
ARG A 520
 None
 1.42A 4kr4C-1nylA:
0.0		 4kr4C-1nylA:
21.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1osm OMPK36

(Klebsiella
pneumoniae) 		PF00267
(Porin_1) 		5 LYS A  16
TYR A  40
ARG A  82
ASP A 113
ARG A 132
 None
 0.98A 4kr4C-1osmA:
36.7		 4kr4C-1osmA:
54.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pho PHOSPHOPORIN

(Escherichia
coli) 		PF00267
(Porin_1) 		5 LYS A  16
TYR A  40
ARG A  82
ASP A 113
ARG A 132
 None
 0.74A 4kr4C-1phoA:
38.4		 4kr4C-1phoA:
55.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pho PHOSPHOPORIN

(Escherichia
coli) 		PF00267
(Porin_1) 		4 LYS A  18
TYR A  40
ARG A  42
ASP A 113
 None
 1.17A 4kr4C-1phoA:
38.4		 4kr4C-1phoA:
55.91
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.
1s3g ADENYLATE KINASE

(Sporosarcina
globispora) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 ARG A 127
ARG A 160
ASP A  84
ARG A  36
 AP5  A 218 (-2.6A)
AP5  A 218 (-3.2A)
AP5  A 218 ( 4.7A)
AP5  A 218 (-2.5A)
 1.39A 4kr4C-1s3gA:
undetectable		 4kr4C-1s3gA:
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.
1ser PROTEIN (SERYL-TRNA
SYNTHETASE
(E.C.6.1.1.11))

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 ARG A 271
ASP A 332
GLU A 114
ARG A 386
 None
 1.37A 4kr4C-1serA:
undetectable		 4kr4C-1serA:
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.
1ufa TT1467 PROTEIN

(Thermus
thermophilus) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 LYS A 292
ARG A  83
ARG A  86
GLU A  25
 None
 1.38A 4kr4C-1ufaA:
undetectable		 4kr4C-1ufaA:
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.
1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1

(Homo sapiens) 		PF00619
(CARD)
PF00931
(NB-ARC) 		4 ARG A 557
ARG A 215
GLU A 221
ARG A 226
 None
 1.18A 4kr4C-1z6tA:
undetectable		 4kr4C-1z6tA:
19.35
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.
1zyl HYPOTHETICAL PROTEIN
YIHE

(Escherichia
coli) 		PF01636
(APH) 		4 ARG A 222
TYR A 152
ARG A 273
ASP A 217
 None
 1.33A 4kr4C-1zylA:
undetectable		 4kr4C-1zylA:
21.24
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.
2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS

(Bacillus
subtilis) 		PF02898
(NO_synthase) 		4 ARG A 340
TYR A 342
GLU A 313
ARG A  65
 None
 1.37A 4kr4C-2an2A:
undetectable		 4kr4C-2an2A:
21.78
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		4 LYS A 134
ARG A  37
GLU A 291
ARG A 108
 None
 1.24A 4kr4C-2csdA:
undetectable		 4kr4C-2csdA:
18.70
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.
2d7d UVRABC SYSTEM
PROTEIN B

(Bacillus
subtilis) 		PF00271
(Helicase_C)
PF02151
(UVR)
PF04851
(ResIII)
PF12344
(UvrB) 		4 ARG A 570
ASP A 510
GLU A 339
ARG A 413
 None
 1.39A 4kr4C-2d7dA:
undetectable		 4kr4C-2d7dA:
17.11
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.
2dq3 SERYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 ARG A 262
ASP A 336
GLU A 119
ARG A 391
 SSA  A1001 (-2.8A)
None
None
SSA  A1001 (-3.3A)
 1.41A 4kr4C-2dq3A:
undetectable		 4kr4C-2dq3A:
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE

(Sus scrofa) 		PF05187
(ETF_QO)
PF13450
(NAD_binding_8) 		4 LYS A 456
ARG A 422
ASP A 267
GLU A 306
 None
 1.38A 4kr4C-2gmhA:
undetectable		 4kr4C-2gmhA:
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.
2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Escherichia
coli) 		PF01259
(SAICAR_synt) 		4 ARG A 199
ASP A 129
GLU A 179
ARG A 215
 C2R  A 242 (-3.1A)
MG  A 241 (-2.4A)
ADP  A 238 ( 3.7A)
C2R  A 242 (-3.1A)
 1.32A 4kr4C-2gqsA:
undetectable		 4kr4C-2gqsA:
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.
2iny HEXON PROTEIN

(Fowl
aviadenovirus A) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 TYR A 217
ARG A 283
ARG A 131
ASP A 445
 None
 1.04A 4kr4C-2inyA:
undetectable		 4kr4C-2inyA:
18.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j1n OUTER MEMBRANE
PROTEIN C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 LYS A  16
TYR A  35
ARG A  74
ARG A 124
 None
 0.79A 4kr4C-2j1nA:
37.9		 4kr4C-2j1nA:
53.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2j1n OUTER MEMBRANE
PROTEIN C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 LYS A  16
TYR A  35
ASP A 105
ARG A 124
 None
 0.78A 4kr4C-2j1nA:
37.9		 4kr4C-2j1nA:
53.35
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.
2j44 ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF03714
(PUD) 		4 TYR A 163
ARG A 119
ASP A  53
GLU A  98
 None
 1.40A 4kr4C-2j44A:
undetectable		 4kr4C-2j44A:
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.
2jjp CYTOCHROME P450
113A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		4 ARG A 321
ARG A 283
ARG A 336
GLU A 259
 None
None
SO4  A 415 (-3.8A)
None
 1.14A 4kr4C-2jjpA:
undetectable		 4kr4C-2jjpA:
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.
2k3m RV1761C

(Mycobacterium
tuberculosis) 		PF16817
(DUF5073) 		4 TYR A 125
ARG A 126
ASP A  65
GLU A  81
 None
 1.35A 4kr4C-2k3mA:
undetectable		 4kr4C-2k3mA:
19.01
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.
2lhf OUTER MEMBRANE
PROTEIN H1

(Pseudomonas
aeruginosa) 		PF13505
(OMP_b-brl) 		4 ARG A  54
TYR A  56
ARG A  45
GLU A 130
 None
 0.98A 4kr4C-2lhfA:
undetectable		 4kr4C-2lhfA:
20.35
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.
2oml RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE E

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		4 ARG A 153
TYR A  48
GLU A 114
ARG A 178
 SO4  A1428 (-3.1A)
SO4  A1428 (-4.6A)
None
None
 1.39A 4kr4C-2omlA:
undetectable		 4kr4C-2omlA:
19.29
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.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 TYR A 573
ARG A 493
ASP A 356
GLU A 503
 None
FPG  A 600 (-3.8A)
MN  A 602 (-2.5A)
None
 1.33A 4kr4C-2ongA:
undetectable		 4kr4C-2ongA:
19.34
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.
2r4j AEROBIC
GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ARG A 317
ARG A 332
ASP A 252
ARG A  54
 13P  A1968 ( 3.6A)
13P  A1968 (-3.9A)
None
13P  A1968 ( 3.6A)
 1.39A 4kr4C-2r4jA:
undetectable		 4kr4C-2r4jA:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 LYS A  16
TYR A  35
ARG A  74
ARG A 124
 SO4  A1348 (-2.9A)
None
SO4  A1349 (-3.7A)
SO4  A1349 (-3.1A)
 0.77A 4kr4C-2xe5A:
38.2		 4kr4C-2xe5A:
54.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xe5 OUTER MEMBRANE PORIN
C

(Escherichia
coli) 		PF00267
(Porin_1) 		4 LYS A  16
TYR A  35
ASP A 105
ARG A 124
 SO4  A1348 (-2.9A)
None
SO4  A1349 ( 4.3A)
SO4  A1349 (-3.1A)
 0.71A 4kr4C-2xe5A:
38.2		 4kr4C-2xe5A:
54.24
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		4 TYR A 291
ARG A 247
ASP A 181
GLU A 226
 None
 1.31A 4kr4C-2ya1A:
undetectable		 4kr4C-2ya1A:
16.63
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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		4 TYR A 245
ASP A 419
GLU A  32
ARG A  41
 None
 1.19A 4kr4C-2z23A:
undetectable		 4kr4C-2z23A:
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.
2zzj GLUCURONAN LYASE A

(Trichoderma
reesei) 		PF14099
(Polysacc_lyase) 		4 TYR A 128
ARG A 135
ASP A 206
ARG A 122
 None
 1.24A 4kr4C-2zzjA:
undetectable		 4kr4C-2zzjA:
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 LYS A  81
TYR A 101
ARG A 117
ARG A 126
 None
 1.23A 4kr4C-3a24A:
undetectable		 4kr4C-3a24A:
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 ARG A  87
ASP A 188
GLU A 207
ARG A 127
 PO4  A 260 ( 2.6A)
None
None
PO4  A 260 ( 3.9A)
 1.32A 4kr4C-3b4tA:
undetectable		 4kr4C-3b4tA:
21.87
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 ARG A 184
ARG A   3
ASP A 123
ARG A   7
 None
 1.22A 4kr4C-3b4tA:
undetectable		 4kr4C-3b4tA:
21.87
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.
3fb4 ADENYLATE KINASE

(Jeotgalibacillus
marinus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 ARG A 127
ARG A 160
ASP A  84
ARG A  36
 AP5  A   0 (-2.9A)
AP5  A   0 (-3.3A)
None
AP5  A   0 (-2.8A)
 1.33A 4kr4C-3fb4A:
undetectable		 4kr4C-3fb4A:
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.
3fw0 PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		PF01436
(NHL) 		4 ARG A 706
TYR A 654
ASP A 800
ARG A 533
 HH3  A   1 (-3.2A)
HH3  A   1 ( 3.9A)
None
HH3  A   1 (-2.7A)
 1.30A 4kr4C-3fw0A:
undetectable		 4kr4C-3fw0A:
23.08
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 ARG A 211
TYR A 273
ARG A 280
GLU A 200
 None
 1.24A 4kr4C-3h2zA:
undetectable		 4kr4C-3h2zA:
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.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN

(Streptococcus
thermophilus) 		PF00497
(SBP_bac_3) 		4 LYS A 215
TYR A 211
ASP A  63
GLU A  60
 None
 1.30A 4kr4C-3hv1A:
undetectable		 4kr4C-3hv1A:
24.13
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 ARG A 366
ASP A  30
GLU A 370
ARG A 276
 None
 1.33A 4kr4C-3imlA:
undetectable		 4kr4C-3imlA:
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.
3nie MAP2 KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 ARG A 223
ARG A 155
ARG A 179
ASP A  70
 None
 1.29A 4kr4C-3nieA:
undetectable		 4kr4C-3nieA:
18.59
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.
3rp9 MITOGEN-ACTIVATED
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		4 TYR A 208
ARG A 204
ARG A 180
GLU A 343
 SO4  A 459 (-4.8A)
None
None
None
 1.34A 4kr4C-3rp9A:
undetectable		 4kr4C-3rp9A:
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ARG A2965
ARG A3000
ASP A2927
ARG A2911
 None
 1.29A 4kr4C-3vkgA:
undetectable		 4kr4C-3vkgA:
7.99
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.
3w2x EXODEOXYRIBONUCLEASE

(Methanothermobacter
thermautotrophicus) 		PF03372
(Exo_endo_phos) 		4 TYR A 111
ARG A  96
GLU A 177
ARG A 121
 None
 1.42A 4kr4C-3w2xA:
undetectable		 4kr4C-3w2xA:
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.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		4 ARG A 246
TYR A 376
ARG A  57
ARG A  66
 None
 1.39A 4kr4C-3wiwA:
undetectable		 4kr4C-3wiwA:
20.09
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.
3zby P450 HEME-THIOLATE
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		4 ARG A  24
ARG A 275
ARG A 328
GLU A 247
 None
 0.94A 4kr4C-3zbyA:
undetectable		 4kr4C-3zbyA:
21.51
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		4 TYR A  41
ARG A  84
ARG A  86
ASP A 168
 None
 1.21A 4kr4C-4bx9A:
undetectable		 4kr4C-4bx9A:
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.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 4 ARG A 451
ASP A 319
GLU A 153
ARG A 339
 None
 1.35A 4kr4C-4cmrA:
undetectable		 4kr4C-4cmrA:
19.24
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.
4ctd OUTER MEMBRANE
PROTEIN G

(Escherichia
coli) 		PF09381
(Porin_OmpG) 		4 TYR A  50
ARG A  68
ARG A  92
ARG A 111
 None
CL  A1271 ( 3.6A)
CL  A1271 (-2.7A)
CL  A1271 ( 4.3A)
 1.27A 4kr4C-4ctdA:
5.7		 4kr4C-4ctdA:
24.50
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.
4d86 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		4 ARG A 899
TYR A 895
ARG A 892
ASP A1110
 None
 0.83A 4kr4C-4d86A:
undetectable		 4kr4C-4d86A:
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.
4frx ANAEROBICALLY-INDUCE
D OUTER MEMBRANE
PORIN OPRE

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 ARG A 163
ARG A 131
ASP A 377
ARG A 421
 None
 1.35A 4kr4C-4frxA:
14.1		 4kr4C-4frxA:
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.
4ft6 PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 ARG A  20
ARG A 378
ARG A 362
ASP A 286
 None
 1.32A 4kr4C-4ft6A:
6.8		 4kr4C-4ft6A:
24.76
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.
4gbj 6-PHOSPHOGLUCONATE
DEHYDROGENASE
NAD-BINDING

(Dyadobacter
fermentans) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ARG A 199
ASP A 289
GLU A 187
ARG A 274
 None
 1.40A 4kr4C-4gbjA:
undetectable		 4kr4C-4gbjA:
21.82
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.
4k2a HALOALKANE
DEHALOGENASE

(Bradyrhizobium
elkanii) 		PF00561
(Abhydrolase_1) 		4 TYR A  43
ARG A  46
GLU A 182
ARG A 178
 None
 1.41A 4kr4C-4k2aA:
undetectable		 4kr4C-4k2aA:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		4 LYS A  16
ARG A  77
ASP A 108
GLU A 116
 None
 1.42A 4kr4C-4kr8A:
45.2		 4kr4C-4kr8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		7 LYS A  16
TYR A  36
ARG A  60
ARG A  77
ASP A 108
GLU A 116
ARG A 130
 None
 0.80A 4kr4C-4kr8A:
45.2		 4kr4C-4kr8A:
100.00
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.
4kr9 PROBABLE TRNA
SULFURTRANSFERASE

(Thermotoga
maritima) 		PF02568
(ThiI)
PF02926
(THUMP) 		4 ARG A 152
ARG A  46
ARG A  10
ARG A 162
 C  M  30 ( 2.8A)
None
None
C  M  31 ( 4.6A)
 1.34A 4kr4C-4kr9A:
undetectable		 4kr4C-4kr9A:
22.77
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 TYR A 494
ARG A 340
ASP A 379
ARG A 386
 None
None
AG8  A 901 ( 4.6A)
None
 1.36A 4kr4C-4lixA:
undetectable		 4kr4C-4lixA:
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.
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2

(Homo sapiens) 		PF00092
(VWA)
PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		4 TYR B 308
ASP B 151
GLU A 318
ARG A 407
 None
CA  B 705 (-3.4A)
MG  B 707 (-3.1A)
None
 1.05A 4kr4C-4nenB:
undetectable		 4kr4C-4nenB:
17.59
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.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		4 TYR A1145
ARG A1247
ASP A1134
GLU A1131
 None
 1.34A 4kr4C-4oa7A:
undetectable		 4kr4C-4oa7A:
19.08
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.
4otp SERINE/THREONINE-PRO
TEIN KINASE RIO1

(Homo sapiens) 		PF01163
(RIO1) 		4 TYR A 304
ASP A 421
GLU A 383
ARG A 409
 None
 1.35A 4kr4C-4otpA:
undetectable		 4kr4C-4otpA:
19.53
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.
4ukd URIDYLMONOPHOSPHATE/
CYTIDYLMONOPHOSPHATE
KINASE

(Dictyostelium
discoideum) 		PF00406
(ADK) 		4 ARG A 131
ARG A 148
ASP A  89
ARG A  93
 BF2  A 501 ( 2.6A)
BF2  A 501 ( 3.6A)
MG  A 500 ( 4.1A)
UDP  A 196 (-2.9A)
 1.34A 4kr4C-4ukdA:
undetectable		 4kr4C-4ukdA:
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.
4w8x CRISPR SYSTEM CMR
SUBUNIT CMR1-1

(Pyrococcus
furiosus) 		PF03787
(RAMPs) 		4 ARG A 306
ARG A  28
GLU A 304
ARG A 154
 None
3GP  A 402 ( 4.9A)
None
PO4  A 401 ( 3.2A)
 1.42A 4kr4C-4w8xA:
undetectable		 4kr4C-4w8xA:
21.58
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		4 LYS B 527
ARG B 379
TYR B 375
ASP B 295
 None
 1.40A 4kr4C-4yg8B:
undetectable		 4kr4C-4yg8B:
17.41
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.
4ygt UNCHARACTERIZED
PROTEIN YJGB

(Bacillus
subtilis) 		PF14172
(DUF4309) 		4 ARG A  96
ASP A 163
GLU A 172
ARG A 123
 SO4  A 201 (-3.9A)
None
None
SO4  A 201 (-3.6A)
 1.23A 4kr4C-4ygtA:
undetectable		 4kr4C-4ygtA:
20.91
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.
4zuz SIDC

(Legionella
pneumophila) 		no annotation 4 TYR A  20
ASP A 618
GLU A  76
ARG A  17
 None
 1.38A 4kr4C-4zuzA:
undetectable		 4kr4C-4zuzA:
17.31
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.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 4 LYS A 980
ARG A1131
ARG A1085
ASP A1180
 None
 1.08A 4kr4C-5b2oA:
undetectable		 4kr4C-5b2oA:
11.64
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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 LYS A  20
ARG A 418
TYR A  18
GLU A 387
 None
 1.35A 4kr4C-5brqA:
undetectable		 4kr4C-5brqA:
19.86
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ARG A  41
ARG A  13
ASP A  88
GLU A 127
 None
 1.25A 4kr4C-5enyA:
undetectable		 4kr4C-5enyA:
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.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		4 ARG A  58
TYR A  82
ASP A 158
ARG A 270
 None
None
None
5TR  A 681 (-3.5A)
 1.32A 4kr4C-5f15A:
undetectable		 4kr4C-5f15A:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		4 LYS A  16
TYR A  35
ARG A  74
ARG A 124
 None
C8E  A 408 (-4.1A)
None
None
 0.78A 4kr4C-5fvnA:
38.2		 4kr4C-5fvnA:
56.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fvn OMPC PORIN

(Enterobacter
cloacae) 		PF00267
(Porin_1) 		4 LYS A  16
TYR A  35
ASP A 105
ARG A 124
 None
C8E  A 408 (-4.1A)
None
None
 0.73A 4kr4C-5fvnA:
38.2		 4kr4C-5fvnA:
56.02
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		4 ARG A1628
TYR A1587
ARG A1585
GLU A1598
 None
 1.41A 4kr4C-5h64A:
undetectable		 4kr4C-5h64A:
8.66
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.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 TYR B 142
ARG B 143
GLU B 323
ARG B 349
 None
 1.22A 4kr4C-5ldrB:
undetectable		 4kr4C-5ldrB:
19.59
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.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 ARG A 333
ARG A 295
ARG A 348
GLU A 271
 None
 0.98A 4kr4C-5li8A:
undetectable		 4kr4C-5li8A:
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.
5lp7 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
subtilis) 		no annotation 4 ARG H 369
ARG H 185
ASP H 334
ARG H 181
 None
 1.26A 4kr4C-5lp7H:
undetectable		 4kr4C-5lp7H:
23.60
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.
5lx8 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TYR A 228
ARG A 515
ASP A  75
GLU A 506
 None
 1.40A 4kr4C-5lx8A:
undetectable		 4kr4C-5lx8A:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 4 ARG A  20
ARG A  41
ASP A 109
ARG A  78
 None
 1.41A 4kr4C-5nxnA:
38.0		 4kr4C-5nxnA:
48.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 4 LYS A  16
ARG A  20
ARG A  78
ARG A 129
 None
 1.17A 4kr4C-5nxnA:
38.0		 4kr4C-5nxnA:
48.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 4 LYS A  16
ARG A  20
ASP A 109
ARG A 129
 None
 1.15A 4kr4C-5nxnA:
38.0		 4kr4C-5nxnA:
48.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o77 OMPK35

(Klebsiella
pneumoniae) 		no annotation 5 LYS A  16
TYR A  36
ARG A  75
ASP A 106
ARG A 126
 None
None
C8E  A 403 (-3.1A)
TRS  A 401 ( 4.4A)
TRS  A 401 ( 2.9A)
 0.80A 4kr4C-5o77A:
39.0		 4kr4C-5o77A:
63.41
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.
5o9c OSMOPORIN OMP36

(Klebsiella
aerogenes) 		no annotation 4 LYS C  16
TYR C  35
ARG C  75
ARG C 125
 None
 0.88A 4kr4C-5o9cC:
37.2		 4kr4C-5o9cC:
17.85
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.
5o9c OSMOPORIN OMP36

(Klebsiella
aerogenes) 		no annotation 4 LYS C  16
TYR C  35
ASP C 106
ARG C 125
 None
 0.76A 4kr4C-5o9cC:
37.2		 4kr4C-5o9cC:
17.85
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 4 ARG A  70
TYR A  57
ARG A  59
ARG A 282
 None
 1.31A 4kr4C-5od2A:
undetectable		 4kr4C-5od2A:
13.13
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 4 ARG A  70
TYR A  57
ARG A  59
GLU A  82
 None
None
None
GLC  A 501 (-2.9A)
 1.34A 4kr4C-5od2A:
undetectable		 4kr4C-5od2A:
13.13
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.
5onu OUTER MEMBRANE
PROTEIN OMPU

(Vibrio cholerae) 		no annotation 4 ARG A  74
ARG A  76
ASP A 163
ARG A 116
 GOL  A 402 (-3.0A)
GOL  A 402 (-3.2A)
GOL  A 403 (-3.0A)
GOL  A 403 (-3.3A)
 1.23A 4kr4C-5onuA:
27.0		 4kr4C-5onuA:
15.46
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.
5onu OUTER MEMBRANE
PROTEIN OMPU

(Vibrio cholerae) 		no annotation 4 ARG A 116
ARG A  74
ARG A  61
ASP A 146
 GOL  A 403 (-3.3A)
GOL  A 402 (-3.0A)
None
None
 1.41A 4kr4C-5onuA:
27.0		 4kr4C-5onuA:
15.46
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.
5onu OUTER MEMBRANE
PROTEIN OMPU

(Vibrio cholerae) 		no annotation 4 TYR A 312
ARG A 318
ARG A 347
ASP A 146
 C8E  A 401 (-3.6A)
None
None
None
 1.21A 4kr4C-5onuA:
27.0		 4kr4C-5onuA:
15.46
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.
5opt RIBOSOMAL PROTEIN
S7, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 ARG Q  77
ARG Q  81
ASP Q 160
ARG Q 166
 None
 1.35A 4kr4C-5optQ:
undetectable		 4kr4C-5optQ:
19.30
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.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 4 ARG B 395
TYR B 417
ASP B  75
GLU B  78
 None
 1.12A 4kr4C-5ovnB:
undetectable		 4kr4C-5ovnB:
11.84
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		4 ARG A 162
ARG A 270
ASP A 243
GLU A 188
 EDO  A 821 ( 4.7A)
None
None
EDO  A 821 (-4.7A)
 1.16A 4kr4C-5v1wA:
undetectable		 4kr4C-5v1wA:
18.50
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.
5wxi EARP

(Neisseria
meningitidis) 		no annotation 4 ARG A  33
ARG A  26
GLU A 159
ARG A 275
 None
 1.09A 4kr4C-5wxiA:
undetectable		 4kr4C-5wxiA:
11.21
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.
5xru ADENYLATE KINASE

(Notothenia
coriiceps) 		no annotation 4 ARG A 132
ARG A 138
ASP A  93
ARG A  44
 AP5  A 201 (-3.0A)
AP5  A 201 (-3.2A)
AP5  A 201 ( 4.7A)
AP5  A 201 (-2.9A)
 1.39A 4kr4C-5xruA:
undetectable		 4kr4C-5xruA:
13.20
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ARG A 204
ARG A 203
ASP A 401
GLU A 365
 None
 1.12A 4kr4C-6aonA:
undetectable		 4kr4C-6aonA:
20.57
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.
6dux 6-PHOSPHO-ALPHA-GLUC
OSIDASE

(Klebsiella
pneumoniae) 		no annotation 4 ARG A  93
TYR A  90
ARG A 291
ASP A 170
 None
NAD  A 501 (-4.6A)
ACT  A 503 (-3.2A)
NAD  A 501 ( 4.5A)
 1.28A 4kr4C-6duxA:
undetectable		 4kr4C-6duxA:
15.11
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.
6ehc OUTER MEMBRANE
PROTEIN U

(Vibrio cholerae) 		no annotation 4 ARG A  86
ARG A  44
ARG A  31
ASP A 116
 None
 1.25A 4kr4C-6ehcA:
26.9		 4kr4C-6ehcA:
13.49
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.
6ehc OUTER MEMBRANE
PROTEIN U

(Vibrio cholerae) 		no annotation 4 TYR A 282
ARG A 288
ARG A 317
ASP A 116
 None
 1.26A 4kr4C-6ehcA:
26.9		 4kr4C-6ehcA:
13.49