SIMILAR PATTERNS OF AMINO ACIDS FOR 5VKQ_A_PCFA1807

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.
1a2z PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermococcus
litoralis) 		PF01470
(Peptidase_C15) 		5 GLY A   8
LEU A  68
LEU A 151
ILE A   6
GLY A  39
 None
 1.30A 5vkqA-1a2zA:
0.0
5vkqB-1a2zA:
0.0		 5vkqA-1a2zA:
8.80
5vkqB-1a2zA:
8.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a2z PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermococcus
litoralis) 		PF01470
(Peptidase_C15) 		5 GLY A  39
LEU A   5
GLY A   8
LEU A  68
ILE A 121
 None
 1.11A 5vkqA-1a2zA:
0.0
5vkqB-1a2zA:
0.0		 5vkqA-1a2zA:
8.80
5vkqB-1a2zA:
8.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5l UREASE (ALPHA
SUBUNIT)

(Klebsiella
aerogenes) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 GLY C 212
LEU C 187
ILE C 214
GLY C 215
LEU C 194
 None
 1.34A 5vkqA-1a5lC:
2.2
5vkqB-1a5lC:
2.1		 5vkqA-1a5lC:
16.37
5vkqB-1a5lC:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 114
LEU A 115
ILE A  27
GLY A  33
ILE A  64
 None
 1.25A 5vkqA-1asoA:
undetectable
5vkqB-1asoA:
undetectable		 5vkqA-1asoA:
14.69
5vkqB-1asoA:
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.
1b24 PROTEIN (I-DMOI)

(Desulfurococcus
mucosus) 		PF14528
(LAGLIDADG_3) 		5 LEU A  95
ILE A  19
GLY A  16
LEU A 113
ILE A 151
 None
 0.88A 5vkqA-1b24A:
0.0
5vkqB-1b24A:
0.0		 5vkqA-1b24A:
7.51
5vkqB-1b24A:
7.51
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.
1dkd GROEL

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		5 GLY A 298
LEU A 222
LEU A 215
ILE A 292
LEU A 295
 None
 1.36A 5vkqA-1dkdA:
0.0
5vkqB-1dkdA:
0.0		 5vkqA-1dkdA:
6.98
5vkqB-1dkdA:
6.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fhe GLUTATHIONE
TRANSFERASE

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 GLY A  79
LEU A  81
LEU A 142
LEU A  23
ILE A 182
 None
 1.31A 5vkqA-1fheA:
0.0
5vkqB-1fheA:
0.0		 5vkqA-1fheA:
8.46
5vkqB-1fheA:
8.46
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.
1fpz CYCLIN-DEPENDENT
KINASE INHIBITOR 3

(Homo sapiens) 		PF05706
(CDKN3) 		5 LEU A 126
ILE A 138
GLY A  44
LEU A  45
ILE A 180
 None
 1.14A 5vkqA-1fpzA:
0.0
5vkqB-1fpzA:
0.0		 5vkqA-1fpzA:
8.60
5vkqB-1fpzA:
8.60
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.
1g5z OUTER SURFACE
PROTEIN C

(Borreliella
burgdorferi) 		PF01441
(Lipoprotein_6) 		5 GLY A 168
LEU A 172
LEU A 106
ILE A 158
LEU A  97
 None
 1.37A 5vkqA-1g5zA:
3.6
5vkqB-1g5zA:
6.3		 5vkqA-1g5zA:
6.97
5vkqB-1g5zA:
6.97
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.
1gk2 HISTIDINE
AMMONIA-LYASE

(Pseudomonas
putida) 		PF00221
(Lyase_aromatic) 		5 LEU A 303
LEU A 293
GLY A 424
LEU A 427
ILE A 348
 None
 1.25A 5vkqA-1gk2A:
1.2
5vkqB-1gk2A:
1.2		 5vkqA-1gk2A:
15.46
5vkqB-1gk2A:
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.
1gpm GMP SYNTHETASE

(Escherichia
coli) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 LEU A 379
ILE A 387
GLY A 388
LEU A 391
ILE A 251
 None
 1.35A 5vkqA-1gpmA:
0.0
5vkqB-1gpmA:
0.0		 5vkqA-1gpmA:
16.11
5vkqB-1gpmA:
16.11
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.
1gyt CYTOSOL
AMINOPEPTIDASE

(Escherichia
coli) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLY A 483
LEU A 406
ILE A 180
GLY A 183
ILE A 265
 None
 1.27A 5vkqA-1gytA:
undetectable
5vkqB-1gytA:
undetectable		 5vkqA-1gytA:
15.43
5vkqB-1gytA:
15.43
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.
1gz4 NAD-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 GLY A 463
LEU A 292
GLY A 446
LEU A 419
ILE A 323
 None
 1.03A 5vkqA-1gz4A:
undetectable
5vkqB-1gz4A:
undetectable		 5vkqA-1gz4A:
14.80
5vkqB-1gz4A:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 LEU A 122
LEU A 521
ILE A 200
GLY A 196
ILE A 503
 None
None
None
FAD  A1031 (-3.4A)
None
 1.38A 5vkqA-1h7wA:
undetectable
5vkqB-1h7wA:
undetectable		 5vkqA-1h7wA:
21.18
5vkqB-1h7wA:
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.
1hyq CELL DIVISION
INHIBITOR (MIND-1)

(Archaeoglobus
fulgidus) 		PF01656
(CbiA) 		5 GLY A 166
LEU A 165
LEU A 116
ILE A 232
LEU A 228
 None
 1.25A 5vkqA-1hyqA:
undetectable
5vkqB-1hyqA:
undetectable		 5vkqA-1hyqA:
10.81
5vkqB-1hyqA:
10.81
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.
1ih5 AQUAPORIN-1

(Homo sapiens) 		PF00230
(MIP) 		5 GLY A 145
LEU A 147
LEU A  81
ILE A 143
GLY A 140
 None
 1.25A 5vkqA-1ih5A:
undetectable
5vkqB-1ih5A:
undetectable		 5vkqA-1ih5A:
10.44
5vkqB-1ih5A:
10.44
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.
1iqp RFCS

(Pyrococcus
furiosus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 LEU A 314
ILE A 324
GLY A 325
LEU A 247
ILE A 239
 None
 1.17A 5vkqA-1iqpA:
2.2
5vkqB-1iqpA:
2.2		 5vkqA-1iqpA:
11.72
5vkqB-1iqpA:
11.72
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.
1iu8 PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Pyrococcus
horikoshii) 		PF01470
(Peptidase_C15) 		5 GLY A  35
LEU A   4
GLY A   7
LEU A  64
ILE A 117
 None
 1.12A 5vkqA-1iu8A:
undetectable
5vkqB-1iu8A:
undetectable		 5vkqA-1iu8A:
8.86
5vkqB-1iu8A:
8.86
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.
1jwa MOLYBDOPTERIN
BIOSYNTHESIS MOEB
PROTEIN

(Escherichia
coli) 		PF00899
(ThiF) 		5 GLY B  41
LEU B  42
ILE B 200
GLY B 198
ILE B 209
 ATP  B 250 (-3.6A)
None
None
None
None
 1.32A 5vkqA-1jwaB:
undetectable
5vkqB-1jwaB:
undetectable		 5vkqA-1jwaB:
9.38
5vkqB-1jwaB:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jwa MOLYBDOPTERIN
BIOSYNTHESIS MOEB
PROTEIN

(Escherichia
coli) 		PF00899
(ThiF) 		5 LEU B  42
LEU B 124
ILE B 200
GLY B 198
ILE B 209
 None
 1.35A 5vkqA-1jwaB:
undetectable
5vkqB-1jwaB:
undetectable		 5vkqA-1jwaB:
9.38
5vkqB-1jwaB:
9.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		5 GLY A 324
LEU A 325
ILE A 401
GLY A 408
LEU A 406
 None
 1.38A 5vkqA-1kfwA:
undetectable
5vkqB-1kfwA:
1.0		 5vkqA-1kfwA:
13.85
5vkqB-1kfwA:
13.85
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 LEU A 266
ILE A 278
GLY A 171
LEU A 205
ILE A 199
 None
10A  A1901 ( 4.4A)
None
10A  A1901 (-3.9A)
None
 1.31A 5vkqA-1kphA:
2.4
5vkqB-1kphA:
2.4		 5vkqA-1kphA:
10.16
5vkqB-1kphA:
10.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 GLY A 331
LEU A 332
ILE A 336
LEU A 366
ILE A 322
 None
 1.27A 5vkqA-1kplA:
undetectable
5vkqB-1kplA:
undetectable		 5vkqA-1kplA:
14.72
5vkqB-1kplA:
14.72
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.
1kt1 FK506-BINDING
PROTEIN FKBP51

(Saimiri
boliviensis) 		PF00254
(FKBP_C)
PF00515
(TPR_1)
PF13181
(TPR_8) 		5 GLY A 220
LEU A 219
ILE A 148
LEU A 143
ILE A 289
 None
 1.26A 5vkqA-1kt1A:
4.4
5vkqB-1kt1A:
4.1		 5vkqA-1kt1A:
14.60
5vkqB-1kt1A:
14.60
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.
1lvw GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Methanothermobacter
thermautotrophicus) 		PF00483
(NTP_transferase) 		5 GLY A 172
LEU A 106
LEU A  50
ILE A  86
ILE A  97
 None
TYD  A3001 (-3.4A)
None
None
None
 1.17A 5vkqA-1lvwA:
undetectable
5vkqB-1lvwA:
undetectable		 5vkqA-1lvwA:
9.76
5vkqB-1lvwA:
9.76
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.
1lvw GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Methanothermobacter
thermautotrophicus) 		PF00483
(NTP_transferase) 		5 GLY A 172
LEU A 106
LEU A  50
ILE A 197
ILE A  97
 None
TYD  A3001 (-3.4A)
None
None
None
 1.24A 5vkqA-1lvwA:
undetectable
5vkqB-1lvwA:
undetectable		 5vkqA-1lvwA:
9.76
5vkqB-1lvwA:
9.76
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.
1mt5 FATTY-ACID AMIDE
HYDROLASE

(Rattus
norvegicus) 		PF01425
(Amidase) 		5 GLY A 385
LEU A 389
LEU A 154
ILE A 405
LEU A 404
 None
 1.36A 5vkqA-1mt5A:
undetectable
5vkqB-1mt5A:
undetectable		 5vkqA-1mt5A:
14.54
5vkqB-1mt5A:
14.54
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.
1mzr 2,5-DIKETO-D-GLUCONA
TE REDUCTASE A

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 LEU A  10
ILE A 159
GLY A 137
LEU A 106
ILE A  46
 None
 1.16A 5vkqA-1mzrA:
undetectable
5vkqB-1mzrA:
undetectable		 5vkqA-1mzrA:
10.27
5vkqB-1mzrA:
10.27
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.
1mzr 2,5-DIKETO-D-GLUCONA
TE REDUCTASE A

(Escherichia
coli) 		PF00248
(Aldo_ket_red) 		5 LEU A  10
LEU A  19
ILE A 159
GLY A 137
LEU A 106
 None
 1.12A 5vkqA-1mzrA:
undetectable
5vkqB-1mzrA:
undetectable		 5vkqA-1mzrA:
10.27
5vkqB-1mzrA:
10.27
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		5 LEU A 226
LEU A  48
ILE A  10
LEU A   6
ILE A  91
 None
 1.38A 5vkqA-1nmoA:
undetectable
5vkqB-1nmoA:
undetectable		 5vkqA-1nmoA:
8.79
5vkqB-1nmoA:
8.79
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.
1nnt OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 LEU A 267
LEU A  59
ILE A   7
LEU A  34
ILE A  12
 None
 1.34A 5vkqA-1nntA:
undetectable
5vkqB-1nntA:
undetectable		 5vkqA-1nntA:
11.40
5vkqB-1nntA:
11.40
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.
1odu PUTATIVE
ALPHA-L-FUCOSIDASE

(Thermotoga
maritima) 		PF01120
(Alpha_L_fucos) 		5 GLY A  30
LEU A 323
GLY A 118
LEU A 348
ILE A 386
 None
 1.30A 5vkqA-1oduA:
undetectable
5vkqB-1oduA:
undetectable		 5vkqA-1oduA:
14.22
5vkqB-1oduA:
14.22
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.
1oft HYPOTHETICAL PROTEIN
PA3008

(Pseudomonas
aeruginosa) 		PF03846
(SulA) 		5 LEU A  51
LEU A 133
ILE A  65
LEU A  66
ILE A  81
 None
 1.20A 5vkqA-1oftA:
undetectable
5vkqB-1oftA:
undetectable		 5vkqA-1oftA:
6.81
5vkqB-1oftA:
6.81
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.
1oh9 ACETYLGLUTAMATE
KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 GLY A 123
ILE A 148
GLY A 149
LEU A 104
ILE A   6
 None
 1.25A 5vkqA-1oh9A:
undetectable
5vkqB-1oh9A:
undetectable		 5vkqA-1oh9A:
10.19
5vkqB-1oh9A:
10.19
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.
1oht CG14704 PROTEIN

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 GLY A 162
LEU A 165
ILE A  41
GLY A 151
ILE A  76
 None
 1.02A 5vkqA-1ohtA:
undetectable
5vkqB-1ohtA:
undetectable		 5vkqA-1ohtA:
8.46
5vkqB-1ohtA:
8.46
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 446
LEU A 493
ILE A 442
LEU A 414
ILE A 526
 None
 0.79A 5vkqA-1ovmA:
undetectable
5vkqB-1ovmA:
undetectable		 5vkqA-1ovmA:
15.67
5vkqB-1ovmA:
15.67
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.
1p91 RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		5 GLY A 114
LEU A  90
ILE A  92
GLY A  93
ILE A 262
 None
 1.14A 5vkqA-1p91A:
undetectable
5vkqB-1p91A:
undetectable		 5vkqA-1p91A:
9.44
5vkqB-1p91A:
9.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		5 LEU A 220
ILE A 262
GLY A 261
LEU A 260
ILE A  19
 None
 1.23A 5vkqA-1p9bA:
undetectable
5vkqB-1p9bA:
undetectable		 5vkqA-1p9bA:
13.95
5vkqB-1p9bA:
13.95
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.
1qax PROTEIN
(3-HYDROXY-3-METHYLG
LUTARYL-COENZYME A
REDUCTASE)

(Pseudomonas
mevalonii) 		PF00368
(HMG-CoA_red) 		5 GLY A  27
LEU A  28
LEU A 342
ILE A  22
ILE A 356
 None
 1.09A 5vkqA-1qaxA:
undetectable
5vkqB-1qaxA:
undetectable		 5vkqA-1qaxA:
13.64
5vkqB-1qaxA:
13.64
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.
1qup SUPEROXIDE DISMUTASE
1 COPPER CHAPERONE

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu)
PF00403
(HMA) 		5 GLY A 102
LEU A 115
ILE A 157
GLY A 172
ILE A  58
 None
 1.15A 5vkqA-1qupA:
undetectable
5vkqB-1qupA:
undetectable		 5vkqA-1qupA:
11.13
5vkqB-1qupA:
11.13
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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		5 LEU A 164
ILE A  16
GLY A  15
LEU A  14
ILE A 331
 None
 0.84A 5vkqA-1r8gA:
undetectable
5vkqB-1r8gA:
undetectable		 5vkqA-1r8gA:
13.06
5vkqB-1r8gA:
13.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rhi HUMAN RHINOVIRUS 3
COAT PROTEIN
HUMAN RHINOVIRUS 3
COAT PROTEIN
HUMAN RHINOVIRUS 3
COAT PROTEIN

(Rhinovirus B;
Rhinovirus B;
Rhinovirus B) 		PF00073
(Rhv)
PF00073
(Rhv)
PF00073
(Rhv) 		5 GLY 2 179
LEU 2 178
ILE 2 225
LEU 3 208
ILE 1 285
 None
 1.31A 5vkqA-1rhi2:
undetectable
5vkqB-1rhi2:
undetectable		 5vkqA-1rhi2:
9.77
5vkqB-1rhi2:
9.77
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.
1ro5 AUTOINDUCER
SYNTHESIS PROTEIN
LASI

(Pseudomonas
aeruginosa) 		PF00765
(Autoind_synth) 		5 GLY A   6
LEU A  22
ILE A  71
LEU A 128
ILE A 107
 None
 1.17A 5vkqA-1ro5A:
undetectable
5vkqB-1ro5A:
undetectable		 5vkqA-1ro5A:
7.69
5vkqB-1ro5A:
7.69
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.
1rvk ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 331
LEU A 332
LEU A 143
GLY A 135
LEU A 160
 None
 1.39A 5vkqA-1rvkA:
undetectable
5vkqB-1rvkA:
undetectable		 5vkqA-1rvkA:
11.99
5vkqB-1rvkA:
11.99
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.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 GLY A 335
LEU A 336
LEU A 599
ILE A 420
LEU A 363
 None
 1.21A 5vkqA-1ryyA:
undetectable
5vkqB-1ryyA:
undetectable		 5vkqA-1ryyA:
17.94
5vkqB-1ryyA:
17.94
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.
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		5 GLY A 294
LEU A 267
LEU A 125
ILE A  90
GLY A  91
 None
 1.31A 5vkqA-1rzmA:
undetectable
5vkqB-1rzmA:
undetectable		 5vkqA-1rzmA:
12.17
5vkqB-1rzmA:
12.17
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.
1s1f PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 355
LEU A 358
ILE A 157
GLY A 243
ILE A 203
 HEM  A 430 (-3.6A)
None
HG  A 436 (-4.7A)
HEM  A 430 (-3.3A)
None
 1.00A 5vkqA-1s1fA:
undetectable
5vkqB-1s1fA:
undetectable		 5vkqA-1s1fA:
13.22
5vkqB-1s1fA:
13.22
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.
1sgf NERVE GROWTH FACTOR

(Mus musculus) 		PF00089
(Trypsin) 		5 GLY A  44
LEU A 181
ILE A 121
LEU A  47
ILE A 232
 None
 1.34A 5vkqA-1sgfA:
undetectable
5vkqB-1sgfA:
undetectable		 5vkqA-1sgfA:
9.27
5vkqB-1sgfA:
9.27
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.
1sng COG4826: SERINE
PROTEASE INHIBITOR

(Thermobifida
fusca) 		PF00079
(Serpin) 		5 GLY A   6
LEU A 213
GLY A 350
LEU A   8
ILE A 344
 None
 1.37A 5vkqA-1sngA:
undetectable
5vkqB-1sngA:
undetectable		 5vkqA-1sngA:
12.34
5vkqB-1sngA:
12.34
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.
1sny SNIFFER CG10964-PA

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 GLY A  17
LEU A  14
LEU A  87
ILE A 223
GLY A 221
 None
NAP  A 400 (-4.1A)
None
None
None
 1.40A 5vkqA-1snyA:
undetectable
5vkqB-1snyA:
undetectable		 5vkqA-1snyA:
9.83
5vkqB-1snyA:
9.83
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		5 GLY A 435
LEU A 425
GLY A 499
LEU A 500
ILE A 412
 None
 1.29A 5vkqA-1su7A:
2.4
5vkqB-1su7A:
2.4		 5vkqA-1su7A:
17.06
5vkqB-1su7A:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 LEU A  52
LEU A 127
ILE A  50
LEU A  21
ILE A 167
 None
 1.39A 5vkqA-1tcsA:
undetectable
5vkqB-1tcsA:
undetectable		 5vkqA-1tcsA:
8.96
5vkqB-1tcsA:
8.96
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.
1tj5 SUCROSE-PHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF05116
(S6PP) 		5 GLY A  68
LEU A  64
GLY A 164
LEU A 193
ILE A 233
 None
 1.18A 5vkqA-1tj5A:
undetectable
5vkqB-1tj5A:
undetectable		 5vkqA-1tj5A:
10.48
5vkqB-1tj5A:
10.48
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 GLY A  93
LEU A  94
LEU A 105
GLY A 132
ILE A 224
 None
None
None
SO4  A 373 (-3.2A)
None
 1.34A 5vkqA-1to6A:
undetectable
5vkqB-1to6A:
undetectable		 5vkqA-1to6A:
11.83
5vkqB-1to6A:
11.83
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 GLY A  93
LEU A  94
LEU A 212
GLY A 132
ILE A 224
 None
None
None
SO4  A 373 (-3.2A)
None
 1.25A 5vkqA-1to6A:
undetectable
5vkqB-1to6A:
undetectable		 5vkqA-1to6A:
11.83
5vkqB-1to6A:
11.83
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY B   9
LEU B 234
LEU B 349
GLY B 231
LEU B 340
 None
 1.40A 5vkqA-1tqyB:
undetectable
5vkqB-1tqyB:
undetectable		 5vkqA-1tqyB:
12.80
5vkqB-1tqyB:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		5 LEU A 164
ILE A  16
GLY A  15
LEU A  14
ILE A 331
 None
 0.82A 5vkqA-1tt4A:
undetectable
5vkqB-1tt4A:
undetectable		 5vkqA-1tt4A:
11.99
5vkqB-1tt4A:
11.99
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.
1ue0 ISOLEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1) 		5 GLY A 281
LEU A 284
LEU A 276
ILE A 317
GLY A 316
 None
 1.15A 5vkqA-1ue0A:
undetectable
5vkqB-1ue0A:
undetectable		 5vkqA-1ue0A:
7.40
5vkqB-1ue0A:
7.40
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.
1uer SUPEROXIDE DISMUTASE

(Porphyromonas
gingivalis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 GLY A  29
LEU A  32
ILE A   6
LEU A   8
ILE A 181
 None
 1.11A 5vkqA-1uerA:
undetectable
5vkqB-1uerA:
undetectable		 5vkqA-1uerA:
7.26
5vkqB-1uerA:
7.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vb5 TRANSLATION
INITIATION FACTOR
EIF-2B

(Pyrococcus
horikoshii) 		PF01008
(IF-2B) 		5 LEU A 203
ILE A 263
GLY A 103
LEU A 106
ILE A 212
 None
 1.39A 5vkqA-1vb5A:
3.3
5vkqB-1vb5A:
3.3		 5vkqA-1vb5A:
10.47
5vkqB-1vb5A:
10.47
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A 215
LEU A 214
LEU A 162
ILE A 151
LEU A 129
 None
 1.27A 5vkqA-1vknA:
undetectable
5vkqB-1vknA:
undetectable		 5vkqA-1vknA:
11.71
5vkqB-1vknA:
11.71
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.
1w1w STRUCTURAL
MAINTENANCE OF
CHROMOSOME 1
SISTER CHROMATID
COHESION PROTEIN 1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF02463
(SMC_N)
PF04824
(Rad21_Rec8) 		5 GLY E 538
ILE E 540
GLY E 541
LEU E 542
ILE A  32
 None
 1.27A 5vkqA-1w1wE:
undetectable
5vkqB-1w1wE:
undetectable		 5vkqA-1w1wE:
5.57
5vkqB-1w1wE:
5.57
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.
1w1w STRUCTURAL
MAINTENANCE OF
CHROMOSOME 1
SISTER CHROMATID
COHESION PROTEIN 1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF02463
(SMC_N)
PF04824
(Rad21_Rec8) 		5 LEU E 492
ILE E 553
GLY E 541
LEU E 542
ILE A  32
 None
 1.35A 5vkqA-1w1wE:
undetectable
5vkqB-1w1wE:
undetectable		 5vkqA-1w1wE:
5.57
5vkqB-1w1wE:
5.57
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.
1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME

(Campylobacter
jejuni) 		PF01128
(IspD)
PF02542
(YgbB) 		5 GLY A 264
LEU A 258
LEU A 358
ILE A 266
GLY A 267
 None
None
None
None
C  A1372 (-3.1A)
 1.26A 5vkqA-1w55A:
undetectable
5vkqB-1w55A:
undetectable		 5vkqA-1w55A:
12.69
5vkqB-1w55A:
12.69
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.
1wc8 TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT3

(Mus musculus) 		PF04051
(TRAPP) 		5 GLY A 133
LEU A 130
ILE A  51
GLY A  52
LEU A  55
 None
None
None
None
MYR  A1168 ( 4.9A)
 1.30A 5vkqA-1wc8A:
undetectable
5vkqB-1wc8A:
undetectable		 5vkqA-1wc8A:
7.74
5vkqB-1wc8A:
7.74
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.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		5 LEU A 211
ILE A 257
GLY A 254
LEU A 249
ILE A 201
 None
 1.41A 5vkqA-1woiA:
undetectable
5vkqB-1woiA:
undetectable		 5vkqA-1woiA:
10.06
5vkqB-1woiA:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wpq GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD+], CYTOPLASMIC

(Homo sapiens) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 GLY A 107
LEU A 109
ILE A 142
GLY A 141
ILE A 119
 None
None
None
None
NAD  A3001 ( 4.4A)
 1.24A 5vkqA-1wpqA:
1.8
5vkqB-1wpqA:
1.8		 5vkqA-1wpqA:
12.84
5vkqB-1wpqA:
12.84
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.
1xm9 PLAKOPHILIN 1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 549
LEU A 551
ILE A 579
GLY A 594
LEU A 582
 None
 1.13A 5vkqA-1xm9A:
1.4
5vkqB-1xm9A:
3.6		 5vkqA-1xm9A:
14.05
5vkqB-1xm9A:
14.05
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.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 158
LEU A 143
ILE A 154
GLY A 215
LEU A 220
 None
 1.20A 5vkqA-1yx2A:
undetectable
5vkqB-1yx2A:
undetectable		 5vkqA-1yx2A:
12.20
5vkqB-1yx2A:
12.20
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.
1z6r MLC PROTEIN

(Escherichia
coli) 		PF00480
(ROK) 		5 LEU A 265
LEU A 242
ILE A 325
GLY A 323
LEU A 326
 None
 1.34A 5vkqA-1z6rA:
undetectable
5vkqB-1z6rA:
undetectable		 5vkqA-1z6rA:
13.17
5vkqB-1z6rA:
13.17
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.
1zkp HYPOTHETICAL PROTEIN
BA1088

(Bacillus
anthracis) 		PF12706
(Lactamase_B_2) 		5 GLY A  92
LEU A  57
LEU A  23
ILE A  90
GLY A 111
 None
 1.28A 5vkqA-1zkpA:
undetectable
5vkqB-1zkpA:
undetectable		 5vkqA-1zkpA:
9.26
5vkqB-1zkpA:
9.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zsw GLYOXALASE FAMILY
PROTEIN

(Bacillus cereus) 		PF00903
(Glyoxalase) 		5 LEU A 125
LEU A  47
ILE A  81
GLY A  82
LEU A  83
 None
 1.25A 5vkqA-1zswA:
undetectable
5vkqB-1zswA:
undetectable		 5vkqA-1zswA:
10.55
5vkqB-1zswA:
10.55
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.
1zub REGULATING SYNAPTIC
MEMBRANE EXOCYTOSIS
PROTEIN 1

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 GLY A 662
LEU A 664
GLY A 631
LEU A 630
ILE A 689
 None
 1.12A 5vkqA-1zubA:
undetectable
5vkqB-1zubA:
undetectable		 5vkqA-1zubA:
5.46
5vkqB-1zubA:
5.46
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.
2aj7 HYPOTHETICAL PROTEIN
BH3618

(Bacillus
halodurans) 		PF02623
(FliW) 		5 GLY A 123
LEU A  38
ILE A  26
GLY A  25
ILE A   4
 None
 1.02A 5vkqA-2aj7A:
undetectable
5vkqB-2aj7A:
undetectable		 5vkqA-2aj7A:
6.87
5vkqB-2aj7A:
6.87
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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 LEU A 129
ILE A 133
GLY A 386
LEU A 387
ILE A 346
 None
 1.38A 5vkqA-2akzA:
undetectable
5vkqB-2akzA:
undetectable		 5vkqA-2akzA:
13.55
5vkqB-2akzA:
13.55
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		5 GLY A 450
LEU A 282
GLY A 433
LEU A 406
ILE A 313
 None
 1.00A 5vkqA-2aw5A:
2.1
5vkqB-2aw5A:
2.2		 5vkqA-2aw5A:
15.26
5vkqB-2aw5A:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bec CALCINEURIN B
HOMOLOGOUS PROTEIN 2
SODIUM/HYDROGEN
EXCHANGER 1

(Homo sapiens;
Homo sapiens) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7)
no annotation 		5 LEU B 530
LEU A 195
ILE A  66
GLY A  63
LEU A  57
 None
 1.08A 5vkqA-2becB:
undetectable
5vkqB-2becB:
undetectable		 5vkqA-2becB:
3.31
5vkqB-2becB:
3.31
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.
2bkw ALANINE-GLYOXYLATE
AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00266
(Aminotran_5) 		5 GLY A  66
LEU A  64
ILE A  74
GLY A  71
LEU A 196
 None
 1.38A 5vkqA-2bkwA:
undetectable
5vkqB-2bkwA:
undetectable		 5vkqA-2bkwA:
12.82
5vkqB-2bkwA:
12.82
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.
2bkx GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Bacillus
subtilis) 		PF01182
(Glucosamine_iso) 		5 GLY A 183
ILE A 139
GLY A 140
LEU A  66
ILE A 128
 None
None
F6R  A1243 (-3.0A)
F6R  A1243 (-4.0A)
None
 1.16A 5vkqA-2bkxA:
undetectable
5vkqB-2bkxA:
undetectable		 5vkqA-2bkxA:
9.78
5vkqB-2bkxA:
9.78
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.
2bl2 V-TYPE SODIUM ATP
SYNTHASE SUBUNIT K

(Enterococcus
hirae) 		PF00137
(ATP-synt_C) 		5 GLY A  66
LEU A  17
ILE A  28
GLY A  29
LEU A 104
 None
LHG  A1159 ( 4.6A)
LHG  A1158 ( 4.8A)
None
LHG  A1158 ( 4.8A)
 1.26A 5vkqA-2bl2A:
3.1
5vkqB-2bl2A:
3.0		 5vkqA-2bl2A:
8.05
5vkqB-2bl2A:
8.05
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.
2bll PROTEIN YFBG

(Escherichia
coli) 		PF01370
(Epimerase) 		5 GLY A 322
LEU A 487
ILE A 327
GLY A 328
LEU A 331
 None
 1.31A 5vkqA-2bllA:
1.0
5vkqB-2bllA:
1.0		 5vkqA-2bllA:
10.96
5vkqB-2bllA:
10.96
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.
2bll PROTEIN YFBG

(Escherichia
coli) 		PF01370
(Epimerase) 		5 GLY A 325
ILE A 320
GLY A 322
LEU A 389
ILE A 565
 None
 1.18A 5vkqA-2bllA:
1.0
5vkqB-2bllA:
1.0		 5vkqA-2bllA:
10.96
5vkqB-2bllA:
10.96
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.
2cuk GLYCERATE
DEHYDROGENASE/GLYOXY
LATE REDUCTASE

(Thermus
thermophilus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 251
LEU A 252
LEU A 210
GLY A 249
LEU A 247
 None
 1.36A 5vkqA-2cukA:
undetectable
5vkqB-2cukA:
undetectable		 5vkqA-2cukA:
12.16
5vkqB-2cukA:
12.16
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.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		5 GLY A 101
LEU A 125
LEU A 233
ILE A 110
GLY A 107
 None
 1.39A 5vkqA-2d0dA:
undetectable
5vkqB-2d0dA:
undetectable		 5vkqA-2d0dA:
10.69
5vkqB-2d0dA:
10.69
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.
2dht 409AA LONG
HYPOTHETICAL
NADP-DEPENDENT
ISOCITRATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00180
(Iso_dh) 		5 GLY A  17
LEU A 355
ILE A 319
GLY A 320
ILE A  27
 None
 1.36A 5vkqA-2dhtA:
undetectable
5vkqB-2dhtA:
undetectable		 5vkqA-2dhtA:
12.93
5vkqB-2dhtA:
12.93
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.
2eb1 ENDORIBONUCLEASE
DICER

(Homo sapiens) 		PF00636
(Ribonuclease_3) 		5 LEU A  49
LEU A  25
ILE A  53
LEU A  54
ILE A  15
 None
 1.12A 5vkqA-2eb1A:
undetectable
5vkqB-2eb1A:
undetectable		 5vkqA-2eb1A:
7.55
5vkqB-2eb1A:
7.55
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		5 GLY A 586
LEU A 587
LEU A 596
LEU A 668
ILE A 641
 None
 1.28A 5vkqA-2ec5A:
4.1
5vkqB-2ec5A:
3.2		 5vkqA-2ec5A:
17.85
5vkqB-2ec5A:
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		5 GLY A 304
LEU A 385
LEU A 334
GLY A 244
LEU A 300
 None
 1.14A 5vkqA-2ek8A:
undetectable
5vkqB-2ek8A:
undetectable		 5vkqA-2ek8A:
13.68
5vkqB-2ek8A:
13.68
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.
2epg HYPOTHETICAL PROTEIN
TTHA1785

(Thermus
thermophilus) 		PF01139
(RtcB) 		5 LEU A 156
LEU A 176
ILE A 196
GLY A 197
ILE A  96
 None
 1.39A 5vkqA-2epgA:
undetectable
5vkqB-2epgA:
undetectable		 5vkqA-2epgA:
14.11
5vkqB-2epgA:
14.11
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.
2f17 THIAMIN
PYROPHOSPHOKINASE 1

(Mus musculus) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 LEU A 117
LEU A  17
ILE A 112
LEU A 108
ILE A 154
 None
 1.30A 5vkqA-2f17A:
undetectable
5vkqB-2f17A:
undetectable		 5vkqA-2f17A:
9.33
5vkqB-2f17A:
9.33
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.
2f5u VIRION PROTEIN UL25

(Human
alphaherpesvirus
1) 		PF01499
(Herpes_UL25) 		5 LEU A 460
LEU A 449
ILE A 388
GLY A 386
LEU A 271
 None
 1.11A 5vkqA-2f5uA:
undetectable
5vkqB-2f5uA:
undetectable		 5vkqA-2f5uA:
13.49
5vkqB-2f5uA:
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.
2g8y MALATE/L-LACTATE
DEHYDROGENASES

(Escherichia
coli) 		PF02615
(Ldh_2) 		5 GLY A  85
LEU A 115
ILE A 121
GLY A  90
ILE A 147
 None
 1.20A 5vkqA-2g8yA:
undetectable
5vkqB-2g8yA:
undetectable		 5vkqA-2g8yA:
12.59
5vkqB-2g8yA:
12.59
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.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 262
LEU A 503
ILE A 259
LEU A 568
ILE A 558
 None
 1.28A 5vkqA-2gepA:
undetectable
5vkqB-2gepA:
undetectable		 5vkqA-2gepA:
13.85
5vkqB-2gepA:
13.85
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.
2hi9 PLASMA SERINE
PROTEASE INHIBITOR

(Homo sapiens) 		PF00079
(Serpin) 		5 GLY A  75
LEU A  76
LEU A 381
LEU A 299
ILE A  46
 None
 1.37A 5vkqA-2hi9A:
undetectable
5vkqB-2hi9A:
undetectable		 5vkqA-2hi9A:
11.68
5vkqB-2hi9A:
11.68
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.
2hrv 2A CYSTEINE
PROTEINASE

(Rhinovirus A) 		PF00947
(Pico_P2A) 		5 GLY A 107
ILE A 131
GLY A 118
LEU A 133
ILE A  28
 None
 1.12A 5vkqA-2hrvA:
undetectable
5vkqB-2hrvA:
undetectable		 5vkqA-2hrvA:
6.11
5vkqB-2hrvA:
6.11
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.
2hyp HYPOTHETICAL PROTEIN
RV0805

(Mycobacterium
tuberculosis) 		PF00149
(Metallophos) 		5 GLY A 192
LEU A 204
ILE A 144
LEU A 152
ILE A 129
 None
 1.25A 5vkqA-2hypA:
undetectable
5vkqB-2hypA:
undetectable		 5vkqA-2hypA:
10.53
5vkqB-2hypA:
10.53
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.
2ilx 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Rattus
norvegicus) 		PF05881
(CNPase) 		5 GLY A 165
LEU A 153
ILE A 171
LEU A 172
ILE A 106
 None
 1.02A 5vkqA-2ilxA:
undetectable
5vkqB-2ilxA:
undetectable		 5vkqA-2ilxA:
8.74
5vkqB-2ilxA:
8.74
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.
2irm MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7
INTERACTING PROTEIN
1

(Anopheles
gambiae) 		PF00481
(PP2C) 		5 GLY A  27
LEU A 359
ILE A 361
GLY A  25
LEU A 320
 None
 1.19A 5vkqA-2irmA:
undetectable
5vkqB-2irmA:
undetectable		 5vkqA-2irmA:
12.79
5vkqB-2irmA:
12.79
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.
2ist RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE D

(Escherichia
coli) 		PF00849
(PseudoU_synth_2)
PF01479
(S4) 		5 GLY A 231
LEU A 228
LEU A 286
LEU A 138
ILE A  95
 None
None
None
CL  A 477 ( 4.5A)
None
 1.41A 5vkqA-2istA:
undetectable
5vkqB-2istA:
undetectable		 5vkqA-2istA:
11.52
5vkqB-2istA:
11.52
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 287
LEU A 457
ILE A 285
GLY A  37
LEU A  38
 None
 1.38A 5vkqA-2ix4A:
undetectable
5vkqB-2ix4A:
undetectable		 5vkqA-2ix4A:
12.80
5vkqB-2ix4A:
12.80