SIMILAR PATTERNS OF AMINO ACIDS FOR 6A94_B_ZOTB3001_0

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.
1ad0 ANTIBODY A5B7 (HEAVY
CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL B 183
THR B 135
LEU B 159
VAL B 163
GLY B 162
VAL B 210
 None
 1.50A 6a94B-1ad0B:
undetectable		 6a94B-1ad0B:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aj8 CITRATE SYNTHASE

(Pyrococcus
furiosus) 		PF00285
(Citrate_synt) 		5 VAL A 311
GLY A 224
PHE A 234
PHE A 319
VAL A 318
 None
CIT  A1000 (-4.2A)
None
None
None
 1.04A 6a94B-1aj8A:
1.4		 6a94B-1aj8A:
26.84
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.
1dcn DELTA 2 CRYSTALLIN

(Anas
platyrhynchos) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 VAL A 192
GLY A 190
SER A 186
PHE A 247
VAL A 338
 None
 1.18A 6a94B-1dcnA:
0.9		 6a94B-1dcnA:
23.37
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.
1gpj GLUTAMYL-TRNA
REDUCTASE

(Methanopyrus
kandleri) 		PF00745
(GlutR_dimer)
PF01488
(Shikimate_DH)
PF05201
(GlutR_N) 		5 VAL A  53
SER A   6
SER A  42
PHE A 127
VAL A  88
 None
 1.10A 6a94B-1gpjA:
undetectable		 6a94B-1gpjA:
22.71
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.
1iov D-ALA:D-ALA LIGASE

(Escherichia
coli) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		6 SER A 274
THR A 273
GLY A 252
SER A  86
PHE A  59
VAL A  26
 None
 1.38A 6a94B-1iovA:
0.0		 6a94B-1iovA:
22.11
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.
1odt CEPHALOSPORIN C
DEACETYLASE

(Bacillus
subtilis) 		PF05448
(AXE1) 		5 VAL C 277
THR C 272
LEU C 290
VAL C 292
GLY C 266
 None
 1.05A 6a94B-1odtC:
0.0		 6a94B-1odtC:
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.
1qpp PAPD CHAPERONE

(Escherichia
coli) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		5 VAL A 202
VAL A 153
GLY A 155
PHE A 205
VAL A 214
 None
 1.20A 6a94B-1qppA:
undetectable		 6a94B-1qppA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 VAL A 183
LEU A 146
VAL A 148
GLY A 154
VAL A 232
 None
 1.10A 6a94B-1rp0A:
undetectable		 6a94B-1rp0A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		5 VAL A 517
THR A 513
LEU A 673
GLY A 682
VAL A 431
 None
 1.18A 6a94B-1w27A:
0.0		 6a94B-1w27A:
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.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 VAL A   9
LEU A  26
VAL A  28
SER A   7
PHE A 201
 None
 1.12A 6a94B-1wnoA:
undetectable		 6a94B-1wnoA:
22.63
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.
1x3a SYNAPSE ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF03909
(BSD) 		5 SER A  22
VAL A  51
SER A  60
PHE A  28
VAL A  84
 None
 1.13A 6a94B-1x3aA:
undetectable		 6a94B-1x3aA:
15.32
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.
1xnt PROTEIN (DNA-REPAIR
PROTEIN XRCC1)

(Homo sapiens) 		PF01834
(XRCC1_N) 		5 VAL A  46
VAL A  72
GLY A  73
PHE A 149
VAL A 147
 None
 1.08A 6a94B-1xntA:
undetectable		 6a94B-1xntA:
19.83
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		6 VAL A 170
LEU A 133
VAL A 147
GLY A 193
TRP A 197
VAL A 185
 None
 1.31A 6a94B-1yiqA:
undetectable		 6a94B-1yiqA:
19.10
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.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		5 LEU A 737
VAL A 655
GLY A 629
PHE A 603
VAL A 574
 None
 0.94A 6a94B-1z26A:
undetectable		 6a94B-1z26A:
17.92
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.
2bt7 SIGMA C

(Avian
orthoreovirus) 		PF04582
(Reo_sigmaC) 		5 LEU A 237
VAL A 239
GLY A 209
PHE A 305
VAL A 278
 None
 1.20A 6a94B-2bt7A:
undetectable		 6a94B-2bt7A:
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.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 VAL A 247
LEU A  49
VAL A 283
GLY A 281
VAL A  57
 None
 1.09A 6a94B-2eh6A:
undetectable		 6a94B-2eh6A:
24.40
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.
2ek8 AMINOPEPTIDASE

(Aneurinibacillus
sp. AM-1) 		PF02225
(PA)
PF04389
(Peptidase_M28) 		5 VAL A 254
THR A  13
VAL A 396
GLY A 393
PHE A 266
 None
ZN  A1004 (-3.2A)
None
None
None
 1.18A 6a94B-2ek8A:
undetectable		 6a94B-2ek8A:
23.40
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.
2f8a GLUTATHIONE
PEROXIDASE 1

(Homo sapiens) 		PF00255
(GSHPx) 		5 VAL A  51
THR A  55
VAL A  97
GLY A 100
PHE A 107
 None
 0.99A 6a94B-2f8aA:
undetectable		 6a94B-2f8aA:
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.
2hae MALATE
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF00390
(malic)
PF03949
(Malic_M) 		5 VAL A 163
LEU A 199
VAL A 196
GLY A 192
PHE A 152
 None
 1.15A 6a94B-2haeA:
undetectable		 6a94B-2haeA:
22.57
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.
2hae MALATE
OXIDOREDUCTASE

(Thermotoga
maritima) 		PF00390
(malic)
PF03949
(Malic_M) 		5 VAL A 163
THR A 159
LEU A 199
GLY A 192
PHE A 152
 None
 1.14A 6a94B-2haeA:
undetectable		 6a94B-2haeA:
22.57
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.
2j04 YDR362CP

(Saccharomyces
cerevisiae) 		no annotation 5 VAL B 482
SER B 483
THR B 484
LEU B 431
VAL B 436
 None
 1.15A 6a94B-2j04B:
undetectable		 6a94B-2j04B:
21.05
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III
CYTOCHROME C OXIDASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3)
PF00034
(Cytochrom_C)
PF00116
(COX2)
PF02790
(COX2_TM) 		5 VAL B  60
VAL B  53
GLY B  55
PHE A 355
VAL A 350
 None
 0.94A 6a94B-2yevB:
undetectable		 6a94B-2yevB:
21.05
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.
2yg8 DNA-3-METHYLADENINE
GLYCOSIDASE II,
PUTATIVE

(Deinococcus
radiodurans) 		PF00730
(HhH-GPD) 		5 VAL A  69
LEU A 111
VAL A 116
PHE A 133
VAL A  93
 None
 1.17A 6a94B-2yg8A:
2.2		 6a94B-2yg8A:
22.94
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.
3b9j XANTHINE OXIDASE

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 THR B 354
LEU B 305
PHE B 390
PHE B 365
VAL B 364
 FAD  B 606 (-4.5A)
None
None
None
None
 1.20A 6a94B-3b9jB:
undetectable		 6a94B-3b9jB:
23.96
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.
3bx8 ENGINEERED HUMAN
LIPOCALIN 2

(Homo sapiens) 		PF00061
(Lipocalin) 		5 VAL A 120
VAL A  33
GLY A  35
PHE A 123
VAL A 108
 None
None
None
1PE  A 179 (-3.8A)
None
 1.20A 6a94B-3bx8A:
undetectable		 6a94B-3bx8A:
18.38
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.
3ff1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Staphylococcus
aureus) 		PF00342
(PGI) 		5 VAL A 195
THR A 207
GLY A 201
SER A 204
VAL A 136
 None
 1.14A 6a94B-3ff1A:
undetectable		 6a94B-3ff1A:
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.
3fvr ACETYL XYLAN
ESTERASE

(Bacillus
pumilus) 		PF05448
(AXE1) 		5 VAL A 277
THR A 272
LEU A 290
VAL A 292
GLY A 266
 None
 1.07A 6a94B-3fvrA:
undetectable		 6a94B-3fvrA:
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.
3fyf PROTEIN BVU-3222

(Bacteroides
vulgatus) 		PF14059
(DUF4251) 		5 THR A 119
VAL A 124
GLY A 122
PHE A 106
VAL A 165
 None
 1.12A 6a94B-3fyfA:
undetectable		 6a94B-3fyfA:
17.02
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.
3gza PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		5 THR A 241
GLY A 237
SER A 239
TRP A 300
VAL A  42
 None
None
None
EDO  A 463 ( 3.7A)
None
 1.12A 6a94B-3gzaA:
undetectable		 6a94B-3gzaA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hc4 IMMUNOGLOBULIN IGG1
FAB, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL H 187
THR H 138
LEU H 162
VAL H 166
GLY H 165
VAL H 214
 None
 1.49A 6a94B-3hc4H:
undetectable		 6a94B-3hc4H:
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.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 VAL A 362
THR A 313
LEU A 392
GLY A 318
VAL A 386
 None
None
None
VAK  A 537 (-3.2A)
None
 1.14A 6a94B-3ihgA:
undetectable		 6a94B-3ihgA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k77 DNA REPAIR PROTEIN
XRCC1

(Homo sapiens) 		PF01834
(XRCC1_N) 		5 VAL A  46
VAL A  72
GLY A  73
PHE A 149
VAL A 147
 None
 1.10A 6a94B-3k77A:
undetectable		 6a94B-3k77A:
16.62
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.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 VAL A 383
SER A 386
LEU A 110
VAL A 355
GLY A 353
 None
 1.16A 6a94B-3k92A:
undetectable		 6a94B-3k92A:
23.52
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.
3kdj PROTEIN PHOSPHATASE
2C 56

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		6 VAL B 417
SER B 416
THR B 132
VAL B 420
GLY B 130
VAL B 245
 None
 1.31A 6a94B-3kdjB:
undetectable		 6a94B-3kdjB:
22.11
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.
3lmd GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		5 VAL A  19
GLY A  23
PHE A 226
PHE A 234
VAL A 315
 None
 1.00A 6a94B-3lmdA:
undetectable		 6a94B-3lmdA:
23.22
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.
3oaz FAB 2G12, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL H 193
THR H 137
LEU H 166
VAL H 171
GLY H 169
VAL H 225
 None
 1.50A 6a94B-3oazH:
undetectable		 6a94B-3oazH:
18.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		8 VAL A 111
THR A 115
VAL A 189
SER A 196
PHE A 338
TRP A 342
PHE A 345
PHE A 346
 ETQ  A1200 (-3.4A)
None
ETQ  A1200 ( 4.2A)
ETQ  A1200 ( 4.6A)
None
None
ETQ  A1200 (-4.4A)
ETQ  A1200 ( 4.5A)
 0.62A 6a94B-3pblA:
32.9		 6a94B-3pblA:
30.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 VAL A 114
THR A 118
PHE A 282
TRP A 286
PHE A 289
PHE A 290
 ERC  A1201 (-3.8A)
None
None
None
ERC  A1201 (-4.5A)
ERC  A1201 (-4.8A)
 0.38A 6a94B-3pdsA:
31.3		 6a94B-3pdsA:
30.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		6 VAL A 114
THR A 118
SER A 207
PHE A 282
TRP A 286
PHE A 289
 ERC  A1201 (-3.8A)
None
ERC  A1201 (-2.7A)
None
None
ERC  A1201 (-4.5A)
 0.62A 6a94B-3pdsA:
31.3		 6a94B-3pdsA:
30.32
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.
3q08 CHLORITE DISMUTASE

(Dechloromonas
aromatica) 		PF06778
(Chlor_dismutase) 		5 VAL A  99
THR A  97
LEU A 246
VAL A 242
PHE A  77
 None
 1.19A 6a94B-3q08A:
undetectable		 6a94B-3q08A:
20.63
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.
3r8r TRANSALDOLASE

(Bacillus
subtilis) 		PF00923
(TAL_FSA) 		5 THR A  82
VAL A   5
GLY A  24
SER A  54
VAL A  32
 None
 1.21A 6a94B-3r8rA:
undetectable		 6a94B-3r8rA:
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.
3rze HISTAMINE H1
RECEPTOR, LYSOZYME
CHIMERA

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 SER A 111
THR A 112
PHE A 424
TRP A 428
PHE A 432
 5EH  A1200 ( 3.7A)
D7V  A1201 ( 4.0A)
None
5EH  A1200 ( 3.4A)
5EH  A1200 ( 4.3A)
 0.43A 6a94B-3rzeA:
29.2		 6a94B-3rzeA:
28.10
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.
3tr5 PEPTIDE CHAIN
RELEASE FACTOR 3

(Coxiella
burnetii) 		PF00009
(GTP_EFTU)
PF16658
(RF3_C) 		5 SER A  70
THR A  68
LEU A  59
GLY A  64
PHE A 313
 None
 1.20A 6a94B-3tr5A:
undetectable		 6a94B-3tr5A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ujk PROTEIN PHOSPHATASE
2C 77

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 VAL A 406
SER A 405
VAL A 409
GLY A 114
VAL A 235
 None
 1.18A 6a94B-3ujkA:
undetectable		 6a94B-3ujkA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		7 VAL A 114
THR A 118
SER A 207
PHE A 254
TRP A 258
PHE A 261
PHE A 262
 CAU  A 500 (-3.5A)
CAU  A 500 ( 4.7A)
CAU  A 500 (-4.1A)
None
None
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
 0.63A 6a94B-4gbrA:
31.4		 6a94B-4gbrA:
29.19
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.
4gow POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY
KQT MEMBER 4
CALMODULIN

(Homo sapiens;
Homo sapiens) 		PF03520
(KCNQ_channel)
PF13499
(EF-hand_7) 		5 VAL A 533
THR A 532
LEU D 112
PHE D  92
VAL D  91
 VAL  A 533 ( 0.6A)
THR  A 532 ( 0.8A)
LEU  D 112 ( 0.6A)
PHE  D  92 ( 1.3A)
VAL  D  91 ( 0.6A)
 1.08A 6a94B-4gowA:
undetectable		 6a94B-4gowA:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hwe FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL H 190
THR H 141
LEU H 165
VAL H 169
GLY H 168
VAL H 217
 None
None
GOL  H 308 ( 4.0A)
None
None
None
 1.48A 6a94B-4hweH:
undetectable		 6a94B-4hweH:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 PHE A 333
TRP A 337
PHE A 340
PHE A 341
VAL A 366
 None
None
ERM  A2001 (-4.3A)
None
ERM  A2001 ( 4.2A)
 0.67A 6a94B-4ib4A:
36.3		 6a94B-4ib4A:
62.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 THR A 140
PHE A 333
TRP A 337
PHE A 341
VAL A 366
 ERM  A2001 (-3.9A)
None
None
None
ERM  A2001 ( 4.2A)
 1.11A 6a94B-4ib4A:
36.3		 6a94B-4ib4A:
62.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		7 VAL A 136
SER A 139
GLY A 221
TRP A 337
PHE A 340
PHE A 341
VAL A 366
 ERM  A2001 (-3.8A)
ERM  A2001 (-3.6A)
ERM  A2001 ( 4.3A)
None
ERM  A2001 (-4.3A)
None
ERM  A2001 ( 4.2A)
 0.75A 6a94B-4ib4A:
36.3		 6a94B-4ib4A:
62.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 VAL A 136
SER A 139
LEU A 209
PHE A 340
VAL A 366
 ERM  A2001 (-3.8A)
ERM  A2001 (-3.6A)
ERM  A2001 (-3.7A)
ERM  A2001 (-4.3A)
ERM  A2001 ( 4.2A)
 0.98A 6a94B-4ib4A:
36.3		 6a94B-4ib4A:
62.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		7 VAL A 136
SER A 139
THR A 140
GLY A 221
TRP A 337
PHE A 341
VAL A 366
 ERM  A2001 (-3.8A)
ERM  A2001 (-3.6A)
ERM  A2001 (-3.9A)
ERM  A2001 ( 4.3A)
None
None
ERM  A2001 ( 4.2A)
 0.88A 6a94B-4ib4A:
36.3		 6a94B-4ib4A:
62.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 VAL A 136
SER A 139
THR A 140
LEU A 209
PHE A 340
 ERM  A2001 (-3.8A)
ERM  A2001 (-3.6A)
ERM  A2001 (-3.9A)
ERM  A2001 (-3.7A)
ERM  A2001 (-4.3A)
 0.92A 6a94B-4ib4A:
36.3		 6a94B-4ib4A:
62.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		5 VAL A 136
SER A 139
THR A 140
LEU A 209
VAL A 366
 ERM  A2001 (-3.8A)
ERM  A2001 (-3.6A)
ERM  A2001 (-3.9A)
ERM  A2001 (-3.7A)
ERM  A2001 ( 4.2A)
 0.98A 6a94B-4ib4A:
36.3		 6a94B-4ib4A:
62.50
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.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Moraxella
catarrhalis) 		PF13360
(PQQ_2) 		5 VAL A 299
LEU A 270
GLY A 316
TRP A 320
VAL A 308
 None
 1.18A 6a94B-4immA:
undetectable		 6a94B-4immA:
23.77
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.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A1114
THR A1118
TRP A1286
PHE A1289
PHE A1290
 P0G  A1401 (-3.7A)
None
None
P0G  A1401 ( 4.7A)
P0G  A1401 ( 4.9A)
 0.64A 6a94B-4ldeA:
22.3		 6a94B-4ldeA:
24.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lly MUTATED PERTUZUMAB
FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL A 190
THR A 141
LEU A 165
VAL A 169
GLY A 168
VAL A 217
 None
 1.48A 6a94B-4llyA:
undetectable		 6a94B-4llyA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n0g PROTEIN PHOSPHATASE
2C 37

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 VAL A 384
SER A 383
VAL A 387
GLY A 106
VAL A 225
 None
 1.19A 6a94B-4n0gA:
undetectable		 6a94B-4n0gA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nf8 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 1

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 THR A 126
LEU A 228
GLY A 145
SER A 248
PHE A 141
 GLY  A1001 (-3.9A)
None
None
None
None
 1.10A 6a94B-4nf8A:
undetectable		 6a94B-4nf8A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oic PROBABLE PROTEIN
PHOSPHATASE 2C 6

(Oryza sativa) 		PF00481
(PP2C) 		5 VAL B 452
SER B 451
VAL B 455
GLY B 151
VAL B 284
 None
 1.20A 6a94B-4oicB:
undetectable		 6a94B-4oicB:
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.
4oko RAPID ENCYSTMENT
PHENOTYPE PROTEIN 34
KDA

(Francisella
tularensis) 		PF00246
(Peptidase_M14) 		5 THR A 102
GLY A  95
SER A  98
PHE A  47
VAL A  79
 None
 0.89A 6a94B-4okoA:
undetectable		 6a94B-4okoA:
20.41
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.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 VAL A 205
LEU A 164
VAL A 199
GLY A 201
PHE A 529
 None
 1.18A 6a94B-4p08A:
2.2		 6a94B-4p08A:
18.81
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.
4ph8 AGGREGATIVE
ADHERENCE FIMBRIAL
SUBUNIT AGGA

(Escherichia
coli) 		no annotation 5 THR A  32
LEU A 153
VAL A 155
GLY A  27
SER A  30
 None
 1.14A 6a94B-4ph8A:
undetectable		 6a94B-4ph8A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU

(Pseudomonas
fluorescens) 		PF01734
(Patatin) 		5 SER A  60
VAL A 247
GLY A 235
SER A  92
PHE A  69
 None
 1.13A 6a94B-4qmkA:
2.1		 6a94B-4qmkA:
19.91
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		5 THR A  35
LEU A 175
GLY A  58
PHE A 249
VAL A 190
 None
 1.03A 6a94B-4rxlA:
undetectable		 6a94B-4rxlA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uta BROADLY NEUTRALIZING
HUMAN ANTIBODY EDE1
C8 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL H 193
THR H 144
LEU H 168
VAL H 172
GLY H 171
VAL H 220
 None
 1.49A 6a94B-4utaH:
undetectable		 6a94B-4utaH:
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.
4whm UDP-GLUCOSE:ANTHOCYA
NIDIN
3-O-GLUCOSYLTRANSFER
ASE

(Clitoria
ternatea) 		PF00201
(UDPGT) 		5 VAL A   7
THR A 109
LEU A  28
VAL A 440
SER A 446
 None
 1.17A 6a94B-4whmA:
undetectable		 6a94B-4whmA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 VAL A 229
THR A 233
LEU A 209
GLY A 246
VAL A 184
 None
 1.13A 6a94B-4xriA:
3.0		 6a94B-4xriA:
19.21
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.
4yog 3C-LIKE PROTEINASE

(Tylonycteris
bat coronavirus
HKU4) 		PF05409
(Peptidase_C30) 		5 SER A 107
THR A 108
VAL A  86
GLY A 182
SER A 179
 None
 1.20A 6a94B-4yogA:
undetectable		 6a94B-4yogA:
22.47
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.
4zqi D-ALANINE--D-ALANINE
LIGASE

(Yersinia pestis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		6 SER A 274
THR A 273
GLY A 252
SER A  86
PHE A  59
VAL A  26
 None
NA  A 401 (-2.9A)
None
None
None
None
 1.36A 6a94B-4zqiA:
undetectable		 6a94B-4zqiA:
22.60
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.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 VAL A 184
SER A 185
THR A 186
VAL A 229
GLY A 168
 None
 1.05A 6a94B-4zyjA:
3.3		 6a94B-4zyjA:
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.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 SER A 180
THR A 176
VAL A 246
GLY A 204
SER A 352
VAL A 412
 None
 1.42A 6a94B-5bp1A:
undetectable		 6a94B-5bp1A:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c69 FUSION GLYCOPROTEIN
F0,FIBRITIN

(Enterobacteria
phage Ox2;
Human
orthopneumovirus) 		PF00523
(Fusion_gly) 		5 VAL A 281
THR A  50
VAL A 322
PHE A 325
VAL A 338
 None
 1.15A 6a94B-5c69A:
undetectable		 6a94B-5c69A:
24.32
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.
5d93 HEAVY CHAIN OF FAB
FRAGMENT FROM A
MOUSE QSOX1-SPECIFIC
ANTIBODY

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL C 186
THR C 137
LEU C 161
VAL C 165
GLY C 164
VAL C 213
 None
 1.50A 6a94B-5d93C:
undetectable		 6a94B-5d93C:
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.
5diy HYALURONIDASE

(Thermobaculum
terrenum) 		PF07555
(NAGidase) 		6 VAL A 448
SER A 451
THR A 452
LEU A 347
PHE A 335
PHE A 397
 None
 1.30A 6a94B-5diyA:
undetectable		 6a94B-5diyA:
21.29
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.
5diy HYALURONIDASE

(Thermobaculum
terrenum) 		PF07555
(NAGidase) 		6 VAL A 448
SER A 451
THR A 452
PHE A 335
PHE A 397
VAL A 331
 None
 1.44A 6a94B-5diyA:
undetectable		 6a94B-5diyA:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 7 VAL B 122
THR B 126
SER B 215
PHE B 299
TRP B 303
PHE B 306
PHE B 307
 P32  B 400 (-3.5A)
None
P32  B 400 ( 4.2A)
None
None
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
 0.66A 6a94B-5f8uB:
31.4		 6a94B-5f8uB:
31.12
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.
5ff5 PAAA

(Pantoea
agglomerans) 		PF00899
(ThiF) 		6 VAL A 135
SER A 225
THR A 226
VAL A 202
GLY A 157
SER A 133
 None
 1.49A 6a94B-5ff5A:
undetectable		 6a94B-5ff5A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5frs SISTER CHROMATID
COHESION PROTEIN
PDS5

(Saccharomyces
cerevisiae) 		PF12717
(Cnd1) 		6 LEU A 131
VAL A 170
GLY A 172
PHE A 109
PHE A 156
VAL A 105
 None
 1.08A 6a94B-5frsA:
undetectable		 6a94B-5frsA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gka CAPSID PROTEIN VP0

(Aichivirus A) 		PF00073
(Rhv) 		5 VAL B 261
LEU B 349
SER B 352
PHE B 331
VAL B 335
 None
 1.14A 6a94B-5gkaB:
undetectable		 6a94B-5gkaB:
20.33
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.
5ies VRC01CHUGL2 FAB
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL H 184
THR H 135
LEU H 159
VAL H 163
GLY H 162
VAL H 211
 None
 1.50A 6a94B-5iesH:
undetectable		 6a94B-5iesH:
18.67
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.
5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Bacillus cereus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 SER A  64
THR A  63
LEU A  20
VAL A  27
GLY A   5
 NAD  A 401 (-3.5A)
None
None
None
None
 1.04A 6a94B-5je8A:
2.1		 6a94B-5je8A:
21.99
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.
5jw6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Aspergillus
fumigatus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 VAL A 178
LEU A 212
VAL A 156
GLY A 158
PHE A 163
 None
 1.05A 6a94B-5jw6A:
undetectable		 6a94B-5jw6A:
23.29
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.
5kw9 IGA(VH)-IGG(CH)
HEAVY CHAIN FAB
FRAGMENT

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL H 195
THR H 146
LEU H 170
VAL H 174
GLY H 173
VAL H 222
 None
 1.46A 6a94B-5kw9H:
undetectable		 6a94B-5kw9H:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4g HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL H 186
THR H 137
LEU H 161
VAL H 165
GLY H 164
VAL H 213
 None
 1.49A 6a94B-5n4gH:
undetectable		 6a94B-5n4gH:
19.00
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.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 SER A  21
LEU A 384
VAL A 127
GLY A 129
PHE A 367
 None
 1.14A 6a94B-5o0jA:
undetectable		 6a94B-5o0jA:
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.
5tdg FUSION GLYCOPROTEIN
F0,FIBRITIN

(Bovine
orthopneumovirus;
Enterobacteria
phage T4 sensu
lato) 		PF00523
(Fusion_gly)
PF07921
(Fibritin_C) 		5 VAL A 308
THR A  50
VAL A 349
PHE A 352
VAL A 365
 None
 1.12A 6a94B-5tdgA:
undetectable		 6a94B-5tdgA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u3j DH511.1 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL H 184
THR H 135
LEU H 159
VAL H 163
GLY H 162
VAL H 211
 None
 1.48A 6a94B-5u3jH:
undetectable		 6a94B-5u3jH:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u3n DH511.12P FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		6 VAL H 184
THR H 135
LEU H 159
VAL H 163
GLY H 162
VAL H 211
 None
 1.50A 6a94B-5u3nH:
undetectable		 6a94B-5u3nH:
20.83
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.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Spodoptera
frugiperda;
Homo sapiens) 		no annotation 5 THR A 134
PHE A 323
TRP A 327
PHE A 330
PHE A 331
 89F  A1201 (-4.2A)
None
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
89F  A1201 (-4.6A)
 0.93A 6a94B-5v54A:
33.0		 6a94B-5v54A:
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.
5v6m HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
ANTI-HIV1 GP120 V3
MAB 10A3

(Oryctolagus
cuniculus) 		no annotation 6 VAL H 180
THR H 131
LEU H 155
VAL H 159
GLY H 158
VAL H 207
 None
 1.49A 6a94B-5v6mH:
undetectable		 6a94B-5v6mH:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 9 VAL A 116
THR A 120
LEU A 187
VAL A 193
SER A 200
PHE A 403
TRP A 407
PHE A 410
PHE A 411
 AQD  A1201 ( 3.9A)
AQD  A1201 (-4.4A)
AQD  A1201 (-4.5A)
AQD  A1201 (-3.9A)
AQD  A1201 (-3.6A)
None
None
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
 0.83A 6a94B-5wivA:
34.6		 6a94B-5wivA:
44.91
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE

(Pseudomonas
aeruginosa) 		no annotation 5 THR A 370
VAL A 394
GLY A  54
SER A 369
VAL A 354
 None
 1.19A 6a94B-5ykdA:
undetectable		 6a94B-5ykdA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yrz HICB

(Streptococcus
pneumoniae) 		no annotation 5 VAL A  53
GLY A  50
SER A  46
PHE A   9
PHE A  25
 None
 1.12A 6a94B-5yrzA:
undetectable		 6a94B-5yrzA:
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.
6an0 HISTIDINOL
DEHYDROGENASE

(Elizabethkingia
anophelis) 		PF00815
(Histidinol_dh) 		5 VAL A 224
GLY A 223
PHE A  34
PHE A 193
VAL A  30
 None
 1.14A 6a94B-6an0A:
undetectable		 6a94B-6an0A:
23.46
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 10 VAL A 135
SER A 138
THR A 139
LEU A 209
VAL A 215
GLY A 218
PHE A 320
TRP A 324
PHE A 327
VAL A 354
 E2J  A1201 (-3.8A)
E2J  A1201 (-3.2A)
E2J  A1201 (-4.3A)
None
E2J  A1201 (-4.6A)
E2J  A1201 (-3.1A)
E2J  A1201 (-4.4A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.6A)
 0.85A 6a94B-6bqhA:
37.5		 6a94B-6bqhA:
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 10 VAL A 135
SER A 138
THR A 139
LEU A 209
VAL A 215
PHE A 320
TRP A 324
PHE A 327
PHE A 328
VAL A 354
 E2J  A1201 (-3.8A)
E2J  A1201 (-3.2A)
E2J  A1201 (-4.3A)
None
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
E2J  A1201 (-4.6A)
 0.76A 6a94B-6bqhA:
37.5		 6a94B-6bqhA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Homo sapiens;
Escherichia
virus T4) 		no annotation 8 VAL A 115
THR A 119
VAL A 190
SER A 197
PHE A 382
TRP A 386
PHE A 389
PHE A 390
 8NU  A2001 ( 3.5A)
8NU  A2001 ( 4.4A)
None
8NU  A2001 ( 3.6A)
8NU  A2001 ( 4.7A)
8NU  A2001 ( 3.8A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 4.8A)
 0.55A 6a94B-6cm4A:
31.5		 6a94B-6cm4A:
33.18
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.
6dw1 -

(-) 		no annotation 5 SER D 195
VAL D  65
GLY D  63
SER D  61
VAL D 204
 None
 1.00A 6a94B-6dw1D:
undetectable		 6a94B-6dw1D:
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.
6fkh ATP SYNTHASE SUBUNIT
BETA, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 VAL D  74
LEU D  47
VAL D  91
GLY D  21
VAL D  30
 None
 1.20A 6a94B-6fkhD:
undetectable		 6a94B-6fkhD:
undetectable