SIMILAR PATTERNS OF AMINO ACIDS FOR 4XDT_A_ACTA409

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.
1a4k ANTIBODY FAB

(Mus musculus) 		no annotation 4 VAL H  18
ILE H  20
VAL H 109
THR H 107
 None
 0.73A 4xdtA-1a4kH:
0.6		 4xdtA-1a4kH:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ad9 IGG CTM01 FAB (LIGHT
CHAIN)

(Homo sapiens) 		no annotation 4 VAL L  19
ILE L  21
VAL L 104
THR L 102
 None
 0.70A 4xdtA-1ad9L:
0.0		 4xdtA-1ad9L:
20.12
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.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		4 ILE A  62
VAL A 254
ILE A 252
VAL A 103
 None
 0.75A 4xdtA-1b65A:
0.0		 4xdtA-1b65A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		4 ILE A 293
VAL A 103
ILE A 105
VAL A 254
 None
 0.69A 4xdtA-1b65A:
0.0		 4xdtA-1b65A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 ILE A 303
VAL A 129
ILE A 131
VAL A 291
 None
None
FAD  A 600 ( 4.7A)
None
 0.74A 4xdtA-1d4eA:
0.0		 4xdtA-1d4eA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dlc DELTA-ENDOTOXIN
CRYIIIA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 ILE A 573
VAL A 633
ILE A 635
VAL A 624
 None
 0.74A 4xdtA-1dlcA:
0.0		 4xdtA-1dlcA:
20.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A 263
VAL A 180
ILE A 182
VAL A 252
 None
 0.70A 4xdtA-1ebdA:
0.0		 4xdtA-1ebdA:
24.43
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.
1hg3 TRIOSEPHOSPHATE
ISOMERASE

(Pyrococcus
woesei) 		PF00121
(TIM)
PF05690
(ThiG) 		4 ILE A 225
VAL A  40
ILE A  42
VAL A 222
 None
 0.64A 4xdtA-1hg3A:
0.0		 4xdtA-1hg3A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hqs ISOCITRATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00180
(Iso_dh) 		4 ILE A 383
VAL A 367
ILE A 363
VAL A 382
 PGO  A 902 ( 4.3A)
None
None
None
 0.74A 4xdtA-1hqsA:
0.0		 4xdtA-1hqsA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1igo FAMILY 11 XYLANASE

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11) 		4 ILE A  97
VAL A 156
VAL A  84
THR A 178
 None
 0.74A 4xdtA-1igoA:
0.1		 4xdtA-1igoA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kyh HYPOTHETICAL 29.9
KDA PROTEIN IN
SIGY-CYDD INTERGENIC
REGION

(Bacillus
subtilis) 		PF01256
(Carb_kinase) 		4 ILE A 192
VAL A 240
ILE A 222
VAL A 184
 None
 0.70A 4xdtA-1kyhA:
undetectable		 4xdtA-1kyhA:
24.51
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.
1nhw ENOYL-ACYL CARRIER
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 ILE C 391
VAL C 413
ILE C 411
VAL C 394
 None
 0.76A 4xdtA-1nhwC:
undetectable		 4xdtA-1nhwC:
8.53
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.
1t2f L-LACTATE
DEHYDROGENASE B
CHAIN

(Homo sapiens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ILE A 134
VAL A 256
ILE A  39
VAL A  93
 None
 0.73A 4xdtA-1t2fA:
undetectable		 4xdtA-1t2fA:
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.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		4 ILE A 303
VAL A 311
ILE A 313
VAL A 300
 None
 0.68A 4xdtA-1tjrA:
undetectable		 4xdtA-1tjrA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uwe ANTIBODY 14D9

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H  18
ILE H  20
VAL H 109
THR H 107
 None
 0.76A 4xdtA-1uweH:
undetectable		 4xdtA-1uweH:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vm0 UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01918
(Alba) 		4 ILE A 102
VAL A  61
ILE A  58
THR A  81
 None
 0.66A 4xdtA-1vm0A:
undetectable		 4xdtA-1vm0A:
15.76
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.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		4 VAL A 129
ILE A 133
VAL A  23
THR A  21
 None
 0.75A 4xdtA-1vr0A:
undetectable		 4xdtA-1vr0A:
21.22
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.
1xgy K42-41L FAB HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H  18
ILE H  20
VAL H 109
THR H 107
 None
 0.68A 4xdtA-1xgyH:
undetectable		 4xdtA-1xgyH:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xx6 THYMIDINE KINASE

(Clostridium
acetobutylicum) 		PF00265
(TK) 		4 ILE A 104
VAL A 111
ILE A  87
VAL A 101
 None
 0.74A 4xdtA-1xx6A:
undetectable		 4xdtA-1xx6A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y56 SARCOSINE OXIDASE

(Pyrococcus
horikoshii) 		PF01266
(DAO) 		4 ILE B 192
VAL B   9
ILE B  11
VAL B 185
 None
 0.76A 4xdtA-1y56B:
undetectable		 4xdtA-1y56B:
21.84
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.
1zcj PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 ILE A 648
VAL A 470
ILE A 468
VAL A 647
 None
 0.76A 4xdtA-1zcjA:
undetectable		 4xdtA-1zcjA:
22.53
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.
1znx GUANYLATE KINASE

(Mycobacterium
tuberculosis) 		PF00625
(Guanylate_kin) 		4 VAL A 116
ILE A 118
VAL A 106
THR A 101
 None
None
None
5GP  A 300 ( 4.8A)
 0.76A 4xdtA-1znxA:
undetectable		 4xdtA-1znxA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A 269
VAL A 182
ILE A 184
VAL A 256
 None
 0.63A 4xdtA-1zy8A:
undetectable		 4xdtA-1zy8A:
21.31
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ILE A 204
VAL A 243
ILE A 245
THR A 223
 None
 0.73A 4xdtA-2bklA:
undetectable		 4xdtA-2bklA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e5y ATP SYNTHASE EPSILON
CHAIN

(Bacillus sp.
PS3) 		PF00401
(ATP-synt_DE)
PF02823
(ATP-synt_DE_N) 		4 ILE A  34
VAL A  75
ILE A  77
VAL A  23
 None
 0.46A 4xdtA-2e5yA:
undetectable		 4xdtA-2e5yA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ebm RWD
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF05773
(RWD) 		4 ILE A  42
VAL A 111
VAL A  44
THR A  57
 None
 0.69A 4xdtA-2ebmA:
1.6		 4xdtA-2ebmA:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iex DIHYDROXYNAPTHOIC
ACID SYNTHETASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		4 ILE A 208
VAL A  59
ILE A  61
THR A 201
 None
 0.73A 4xdtA-2iexA:
undetectable		 4xdtA-2iexA:
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.
2ij9 URIDYLATE KINASE

(Archaeoglobus
fulgidus) 		PF00696
(AA_kinase) 		4 VAL A 209
ILE A 205
VAL A  29
THR A  25
 None
 0.60A 4xdtA-2ij9A:
undetectable		 4xdtA-2ij9A:
22.78
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.
2jel JEL42 FAB FRAGMENT

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H  18
ILE H  20
VAL H 109
THR H 107
 None
 0.62A 4xdtA-2jelH:
undetectable		 4xdtA-2jelH:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kh2 SCFV

(Mus musculus) 		PF07686
(V-set) 		4 VAL B  19
ILE B  21
VAL B 104
THR B 102
 None
 0.71A 4xdtA-2kh2B:
undetectable		 4xdtA-2kh2B:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4s PURINE NUCLEOSIDE
PHOSPHORYLASE

(Anopheles
gambiae) 		PF01048
(PNP_UDP_1) 		4 ILE A 367
VAL A 112
ILE A 114
VAL A 364
 None
 0.72A 4xdtA-2p4sA:
undetectable		 4xdtA-2p4sA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qeq FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT

(West Nile virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		4 ILE A 313
ILE A 209
VAL A 283
THR A 219
 None
 0.71A 4xdtA-2qeqA:
undetectable		 4xdtA-2qeqA:
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 ILE A 648
VAL A 470
ILE A 468
VAL A 647
 None
 0.69A 4xdtA-2x58A:
undetectable		 4xdtA-2x58A:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xnh DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF00533
(BRCT)
PF12738
(PTCB-BRCT) 		4 VAL A 207
ILE A 205
VAL A 218
THR A 222
 None
 0.73A 4xdtA-2xnhA:
undetectable		 4xdtA-2xnhA:
20.16
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.
2ygk NURA

(Sulfolobus
solfataricus) 		PF09376
(NurA) 		4 ILE A 320
VAL A  71
ILE A  68
VAL A 323
 None
 0.68A 4xdtA-2ygkA:
1.6		 4xdtA-2ygkA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zki 199AA LONG
HYPOTHETICAL TRP
REPRESSOR BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF03358
(FMN_red) 		4 ILE A 187
VAL A 142
ILE A 140
VAL A 190
 None
 0.62A 4xdtA-2zkiA:
undetectable		 4xdtA-2zkiA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		4 ILE A 119
VAL A  94
ILE A  98
VAL A 120
 None
 0.62A 4xdtA-3a6pA:
undetectable		 4xdtA-3a6pA:
15.58
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.
3am3 ENOYL-ACP REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 ILE A 391
VAL A 413
ILE A 411
VAL A 394
 None
 0.72A 4xdtA-3am3A:
undetectable		 4xdtA-3am3A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		4 ILE A  44
VAL A  92
ILE A  95
VAL A  21
 None
NAP  A4005 (-3.8A)
None
NAP  A4005 ( 4.9A)
 0.70A 4xdtA-3f8rA:
undetectable		 4xdtA-3f8rA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7t ENVELOPE PROTEIN

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 ILE A  43
VAL A  23
ILE A   6
VAL A  31
THR A  33
 None
 1.25A 4xdtA-3g7tA:
undetectable		 4xdtA-3g7tA:
21.95
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.
3gnl UNCHARACTERIZED
PROTEIN, DUF633,
LMOF2365_1472

(Listeria
monocytogenes) 		PF04816
(TrmK) 		4 VAL A  19
ILE A  23
VAL A  99
THR A  97
 None
 0.54A 4xdtA-3gnlA:
undetectable		 4xdtA-3gnlA:
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.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		4 ILE A 194
VAL A   8
ILE A  10
VAL A 187
 None
 0.59A 4xdtA-3gsiA:
undetectable		 4xdtA-3gsiA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hyv SULFIDE-QUINONE
REDUCTASE

(Aquifex
aeolicus) 		PF07992
(Pyr_redox_2) 		4 ILE A  96
VAL A   6
ILE A   8
VAL A  88
 None
None
FAD  A 441 (-4.9A)
None
 0.69A 4xdtA-3hyvA:
undetectable		 4xdtA-3hyvA:
22.44
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.
3hyv SULFIDE-QUINONE
REDUCTASE

(Aquifex
aeolicus) 		PF07992
(Pyr_redox_2) 		4 ILE A 185
VAL A 223
ILE A 226
THR A 248
 None
 0.60A 4xdtA-3hyvA:
undetectable		 4xdtA-3hyvA:
22.44
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.
3i6d PROTOPORPHYRINOGEN
OXIDASE

(Bacillus
subtilis) 		PF01593
(Amino_oxidase) 		4 VAL A 387
ILE A 384
VAL A 314
THR A 404
 None
 0.73A 4xdtA-3i6dA:
undetectable		 4xdtA-3i6dA:
21.50
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.
3iy3 ANTIBODY FRAGMENT
FROM NEUTRALIZING
ANTIBODY 8 (HEAVY
CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 VAL B 131
ILE B 133
VAL B 229
THR B 227
 None
 0.74A 4xdtA-3iy3B:
0.6		 4xdtA-3iy3B:
15.77
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.
3jur EXO-POLY-ALPHA-D-GAL
ACTURONOSIDASE

(Thermotoga
maritima) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 ILE A 251
VAL A 263
ILE A 265
VAL A 285
 None
 0.75A 4xdtA-3jurA:
undetectable		 4xdtA-3jurA:
21.50
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		4 ILE A 183
VAL A 189
ILE A 147
VAL A 178
 None
 0.70A 4xdtA-3k55A:
undetectable		 4xdtA-3k55A:
18.51
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A 257
VAL A 174
ILE A 176
VAL A 245
 None
 0.72A 4xdtA-3l8kA:
undetectable		 4xdtA-3l8kA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lrh ANTI-HUNTINGTIN VL
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		4 VAL A  18
ILE A  20
VAL A 107
THR A 105
 None
 0.76A 4xdtA-3lrhA:
undetectable		 4xdtA-3lrhA:
16.76
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		4 ILE A 238
VAL A 156
ILE A 158
VAL A 230
 None
 0.62A 4xdtA-3lxdA:
undetectable		 4xdtA-3lxdA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nz8 MOUSE ANTI V3
ANTIBODY 7C8 FAB,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL A  18
ILE A  20
VAL A 109
THR A 107
 None
 0.68A 4xdtA-3nz8A:
undetectable		 4xdtA-3nz8A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 ILE A 116
VAL A  20
ILE A  84
VAL A  34
THR A  82
 None
 1.48A 4xdtA-3o8lA:
undetectable		 4xdtA-3o8lA:
18.97
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.
3oam 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Vibrio cholerae) 		PF02348
(CTP_transf_3) 		4 VAL A  82
ILE A  88
VAL A   6
THR A   4
 None
 0.71A 4xdtA-3oamA:
undetectable		 4xdtA-3oamA:
24.10
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.
3ome ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 ILE A 198
VAL A  48
ILE A  50
THR A 191
 None
 0.70A 4xdtA-3omeA:
undetectable		 4xdtA-3omeA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v2b POLY [ADP-RIBOSE]
POLYMERASE 15

(Homo sapiens) 		PF01661
(Macro) 		5 ILE A 354
VAL A 300
ILE A 386
VAL A 369
THR A 365
 None
 1.19A 4xdtA-3v2bA:
undetectable		 4xdtA-3v2bA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vb9 UNCHARACTERIZED
PROTEIN VPA0735

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		4 ILE A 208
VAL A 110
ILE A 192
VAL A 205
 None
 0.76A 4xdtA-3vb9A:
undetectable		 4xdtA-3vb9A:
20.86
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		4 VAL A 559
ILE A 561
VAL A 650
THR A 609
 None
 0.70A 4xdtA-4bqiA:
undetectable		 4xdtA-4bqiA:
17.60
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.
4d3c SFN68 FAB

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L  19
ILE L  21
VAL L 105
THR L 103
 None
 0.72A 4xdtA-4d3cL:
undetectable		 4xdtA-4d3cL:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4h GLUTAMINE DEPENDENT
NAD+ SYNTHETASE

(Burkholderia
thailandensis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		4 ILE A 506
VAL A 516
ILE A 560
VAL A 507
 None
 0.75A 4xdtA-4f4hA:
undetectable		 4xdtA-4f4hA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		4 ILE A  95
VAL A 107
ILE A 109
VAL A  86
 None
 0.64A 4xdtA-4gcmA:
undetectable		 4xdtA-4gcmA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		4 ILE A   7
VAL A 148
ILE A 152
VAL A 133
 None
 0.72A 4xdtA-4gm6A:
undetectable		 4xdtA-4gm6A:
23.32
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.
4h6q PROLINE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF01619
(Pro_dh) 		4 VAL A 238
ILE A 234
VAL A 227
THR A 229
 None
None
None
FAD  A2001 (-3.5A)
 0.63A 4xdtA-4h6qA:
undetectable		 4xdtA-4h6qA:
24.33
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.
4jpw LIGHT CHAIN OF
ANTIBODY 12A21

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L  19
ILE L  21
VAL L 104
THR L 102
 None
 0.76A 4xdtA-4jpwL:
undetectable		 4xdtA-4jpwL:
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.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL B  18
ILE B  20
VAL B 114
THR B 112
 None
 0.70A 4xdtA-4jreB:
0.8		 4xdtA-4jreB:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kq4 CNTO7357 HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H  18
ILE H  20
VAL H 113
THR H 111
 None
 0.74A 4xdtA-4kq4H:
undetectable		 4xdtA-4kq4H:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ky1 IMMUNOGLOBULIN IGG1
FAB, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H  18
ILE H  20
VAL H 117
THR H 115
 None
 0.76A 4xdtA-4ky1H:
undetectable		 4xdtA-4ky1H:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0k ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Rhodothermus
marinus) 		PF00156
(Pribosyltran) 		5 ILE A 114
VAL A 120
ILE A 122
VAL A 140
THR A 136
 None
 1.05A 4xdtA-4m0kA:
undetectable		 4xdtA-4m0kA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ma3 C2095 LIGHT CHAIN

(Homo sapiens;
Oryctolagus
cuniculus) 		no annotation 4 VAL L  18
ILE L  20
VAL L 109
THR L 107
 None
 0.72A 4xdtA-4ma3L:
undetectable		 4xdtA-4ma3L:
20.46
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.
4mxn UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF00295
(Glyco_hydro_28) 		4 ILE A  51
VAL A  77
ILE A  79
VAL A  48
 None
 0.65A 4xdtA-4mxnA:
undetectable		 4xdtA-4mxnA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o8c THERMOSTABLE NPPASE

(Geobacillus
stearothermophilus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 VAL A 115
ILE A 117
VAL A  80
THR A  76
 None
 0.68A 4xdtA-4o8cA:
undetectable		 4xdtA-4o8cA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		4 ILE A  82
VAL A 159
ILE A 161
VAL A 154
 None
 0.70A 4xdtA-4pmhA:
undetectable		 4xdtA-4pmhA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgd BACTERIOCIN AS-48

(Enterococcus
faecalis) 		PF09221
(Bacteriocin_IId) 		5 ILE A   7
VAL A  35
ILE A  31
VAL A  11
THR A  14
 None
 1.40A 4xdtA-4rgdA:
undetectable		 4xdtA-4rgdA:
12.94
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.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 4 ILE A 470
VAL A 492
ILE A 522
VAL A 502
 None
 0.73A 4xdtA-4rmxA:
undetectable		 4xdtA-4rmxA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uom FAB FRAGMENT HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H  18
ILE H  20
VAL H 112
THR H 110
 None
 0.71A 4xdtA-4uomH:
undetectable		 4xdtA-4uomH:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		4 ILE A 279
VAL A 179
VAL A 169
THR A 189
 None
 0.75A 4xdtA-4usrA:
undetectable		 4xdtA-4usrA:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		5 ILE A 192
VAL A 214
ILE A 216
VAL A 237
THR A 239
 ACT  A 409 (-3.7A)
ACT  A 409 ( 4.6A)
ACT  A 409 (-4.0A)
ACT  A 409 (-4.5A)
ACT  A 409 (-3.4A)
 0.01A 4xdtA-4xdtA:
57.2		 4xdtA-4xdtA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y5x DIABODY 310 VH
DOMAIN

(Homo sapiens) 		PF07686
(V-set) 		4 VAL B  18
ILE B  20
VAL B 107
THR B 105
 None
 0.73A 4xdtA-4y5xB:
undetectable		 4xdtA-4y5xB:
15.63
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.
5dmg RB86 ANTIBODY FAB
FRAGMENT LIGHT CHAIN

(Oryctolagus
cuniculus) 		no annotation 4 VAL L 519
ILE L 521
VAL L 807
THR L 805
 None
 0.74A 4xdtA-5dmgL:
undetectable		 4xdtA-5dmgL:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dmi CHI220 FAB HEAVY
CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL H  18
ILE H  20
VAL H 109
THR H 107
 None
 0.75A 4xdtA-5dmiH:
undetectable		 4xdtA-5dmiH:
20.64
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		4 ILE A 248
VAL A  59
ILE A  61
VAL A 241
 None
None
FAD  A 500 (-4.8A)
None
 0.67A 4xdtA-5fjnA:
undetectable		 4xdtA-5fjnA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN

(Exiguobacterium
antarcticum) 		PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4) 		4 ILE A  78
VAL A  54
ILE A  52
VAL A  81
 None
 0.75A 4xdtA-5h3hA:
undetectable		 4xdtA-5h3hA:
20.40
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.
5i8k HHH1 FAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L  19
ILE L  21
VAL L 107
THR L 105
 None
 0.71A 4xdtA-5i8kL:
undetectable		 4xdtA-5i8kL:
21.21
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.
5i8o HMM5 ANTIBODY LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L  19
ILE L  21
VAL L 107
THR L 105
 None
 0.70A 4xdtA-5i8oL:
undetectable		 4xdtA-5i8oL:
21.95
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.
5jb3 30S RIBOSOMAL
PROTEIN S3

(Pyrococcus
abyssi) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		4 ILE Z  46
VAL Z  54
ILE Z  62
VAL Z  82
 None
 0.66A 4xdtA-5jb3Z:
undetectable		 4xdtA-5jb3Z:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lwy V REGION HEAVY CHAIN

(Mus musculus) 		PF07686
(V-set) 		4 VAL H  18
ILE H  20
VAL H 114
THR H 112
 None
 0.70A 4xdtA-5lwyH:
0.7		 4xdtA-5lwyH:
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.
5lx9 SINGLE-CHAIN
VARIABLE FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		4 VAL H  18
ILE H  20
VAL H 114
THR H 112
 None
 0.65A 4xdtA-5lx9H:
0.7		 4xdtA-5lx9H:
20.06
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.
5m63 L CHAIN OF FAB
NVS-1-19-5

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L  41
ILE L  43
VAL L 131
THR L 129
 None
 0.75A 4xdtA-5m63L:
undetectable		 4xdtA-5m63L:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n1t FLAVIN-BINDING
SUBUNIT OF SULFIDE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 ILE A 127
VAL A  37
ILE A  39
VAL A 119
 None
None
FAD  A 501 ( 4.8A)
None
 0.67A 4xdtA-5n1tA:
undetectable		 4xdtA-5n1tA:
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.
5tjz 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Mycobacterium
tuberculosis) 		no annotation 4 ILE A 228
VAL A  48
ILE A  50
VAL A 225
 None
 0.65A 4xdtA-5tjzA:
undetectable		 4xdtA-5tjzA:
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.
5u3p DH511.4 FAB LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL L  19
ILE L  21
VAL L 104
THR L 102
 None
 0.74A 4xdtA-5u3pL:
undetectable		 4xdtA-5u3pL:
20.34
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.
5u68 MPE8

(Homo sapiens) 		PF07686
(V-set) 		4 VAL E 181
ILE E 183
VAL E 270
THR E 268
 None
 0.77A 4xdtA-5u68E:
undetectable		 4xdtA-5u68E:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 4 ILE A 367
VAL A 359
ILE A 357
VAL A 370
 None
 0.72A 4xdtA-5vaeA:
undetectable		 4xdtA-5vaeA:
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.
5wdu BNAB 35O22 FAB LIGHT
CHAIN

(Homo sapiens) 		no annotation 4 VAL I  19
ILE I  21
VAL I 104
THR I 102
 None
 0.66A 4xdtA-5wduI:
undetectable		 4xdtA-5wduI:
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.
5ymt OUTER CAPSID PROTEIN
VP4

(Rotavirus A) 		no annotation 4 ILE A  42
VAL A 101
VAL A  29
THR A 137
 None
 0.73A 4xdtA-5ymtA:
undetectable		 4xdtA-5ymtA:
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.
5zai -

(-) 		no annotation 4 ILE A 198
VAL A  51
ILE A  53
THR A 191
 None
 0.72A 4xdtA-5zaiA:
undetectable		 4xdtA-5zaiA:
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.
6ape BIFUNCTIONAL PROTEIN
FOLD

(Helicobacter
pylori) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 VAL A 231
ILE A 233
VAL A 149
THR A 145
 None
 0.75A 4xdtA-6apeA:
undetectable		 4xdtA-6apeA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ba5 VARIABLE DOMAIN OF
LIGHT CHAIN,
ANTIBODY R11

(Homo sapiens) 		no annotation 4 VAL A  20
ILE A  22
VAL A 108
THR A 106
 None
 0.75A 4xdtA-6ba5A:
undetectable		 4xdtA-6ba5A:
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.
6ck9 35O22 SCFV LIGHT
CHAIN PORTION

(Homo sapiens) 		no annotation 4 VAL E  19
ILE E  21
VAL E 104
THR E 102
 None
 0.60A 4xdtA-6ck9E:
undetectable		 4xdtA-6ck9E:
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.
6cr0 (S)-6-HYDROXYNICOTIN
E OXIDASE

(Shinella sp.
HZN7) 		no annotation 4 VAL A 425
ILE A 429
VAL A 257
THR A 255
 None
 0.74A 4xdtA-6cr0A:
undetectable		 4xdtA-6cr0A:
undetectable