SIMILAR PATTERNS OF AMINO ACIDS FOR 3WIP_B_ACHB301_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.
1ae7 PHOSPHOLIPASE A2

(Notechis
scutatus) 		PF00068
(Phospholip_A2_1) 		4 TRP A  20
THR A  19
TYR A 111
TYR A  22
 None
 1.20A 3wipB-1ae7A:
undetectable
3wipC-1ae7A:
undetectable		 3wipB-1ae7A:
16.50
3wipC-1ae7A:
16.50
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 TYR A 420
THR A 429
TYR A 112
TYR A 115
 None
 1.15A 3wipB-1b2hA:
undetectable
3wipC-1b2hA:
undetectable		 3wipB-1b2hA:
16.28
3wipC-1b2hA:
16.28
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 TYR A 420
TYR A 112
TYR A 115
TRP A 416
 None
 1.32A 3wipB-1b2hA:
undetectable
3wipC-1b2hA:
undetectable		 3wipB-1b2hA:
16.28
3wipC-1b2hA:
16.28
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 TYR A 287
TYR A 334
ARG A 355
MET A 282
 None
None
AMP  A7475 (-4.5A)
None
 1.45A 3wipB-1htqA:
undetectable
3wipC-1htqA:
undetectable		 3wipB-1htqA:
18.11
3wipC-1htqA:
18.11
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.
1hxm GAMMA-DELTA T-CELL
RECEPTOR

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR B  83
TYR B  95
TRP B  37
ARG B  20
 None
 1.24A 3wipB-1hxmB:
undetectable
3wipC-1hxmB:
undetectable		 3wipB-1hxmB:
23.51
3wipC-1hxmB:
23.51
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.
1i9z PHOSPHATIDYLINOSITOL
PHOSPHATE
PHOSPHATASE

(Schizosaccharomyces
pombe) 		PF03372
(Exo_endo_phos) 		4 TYR A 836
THR A 574
TYR A 565
TRP A 617
 None
 1.49A 3wipB-1i9zA:
undetectable
3wipC-1i9zA:
undetectable		 3wipB-1i9zA:
20.73
3wipC-1i9zA:
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.
1igo FAMILY 11 XYLANASE

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11) 		4 TYR A  81
TRP A 144
THR A 107
TYR A 104
 None
 1.49A 3wipB-1igoA:
undetectable
3wipC-1igoA:
undetectable		 3wipB-1igoA:
22.75
3wipC-1igoA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		4 TYR A 485
TRP A 510
THR A 546
ARG A 517
 None
 1.16A 3wipB-1m1cA:
undetectable
3wipC-1m1cA:
undetectable		 3wipB-1m1cA:
15.97
3wipC-1m1cA:
15.97
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.
1nlu SEDOLISIN

(Pseudomonas sp.) 		no annotation 4 TYR A 237
THR A 186
TYR A 341
TYR A 187
 None
 1.47A 3wipB-1nluA:
undetectable
3wipC-1nluA:
undetectable		 3wipB-1nluA:
20.21
3wipC-1nluA:
20.21
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.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 TYR A 475
TRP A 495
ARG A 479
MET A 491
 None
 1.28A 3wipB-1opkA:
undetectable
3wipC-1opkA:
undetectable		 3wipB-1opkA:
18.35
3wipC-1opkA:
18.35
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.
1q7s BIT1

(Homo sapiens) 		PF01981
(PTH2) 		4 THR A 139
TYR A  94
TRP A 108
MET A  67
 None
 1.46A 3wipB-1q7sA:
undetectable
3wipC-1q7sA:
undetectable		 3wipB-1q7sA:
19.83
3wipC-1q7sA:
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.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		4 TYR A 651
THR A 615
TYR A 634
ARG A 602
 None
 1.22A 3wipB-1yvlA:
undetectable
3wipC-1yvlA:
undetectable		 3wipB-1yvlA:
13.60
3wipC-1yvlA:
13.60
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 TYR A 206
THR A 240
TYR A 268
TYR A 239
 None
 1.49A 3wipB-2aeyA:
undetectable
3wipC-2aeyA:
undetectable		 3wipB-2aeyA:
17.21
3wipC-2aeyA:
17.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bj0 ACETYLCHOLINE-BINDIN
G PROTEIN

(Bulinus
truncatus) 		PF02931
(Neur_chan_LBD) 		5 TYR A  88
TRP A 142
THR A 143
TYR A 184
TYR A 191
 None
CXS  A1204 (-3.6A)
CXS  A1204 ( 4.7A)
CXS  A1204 (-4.6A)
CXS  A1204 (-4.7A)
 0.71A 3wipB-2bj0A:
24.6
3wipC-2bj0A:
25.2		 3wipB-2bj0A:
40.44
3wipC-2bj0A:
40.44
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		4 THR A 178
TYR A 175
TRP A 194
ARG A 163
 None
 1.30A 3wipB-2cn3A:
undetectable
3wipC-2cn3A:
undetectable		 3wipB-2cn3A:
15.92
3wipC-2cn3A:
15.92
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 TYR A 479
TRP A 499
ARG A 483
MET A 495
 None
 1.27A 3wipB-2hckA:
undetectable
3wipC-2hckA:
undetectable		 3wipB-2hckA:
20.18
3wipC-2hckA:
20.18
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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A 457
TRP A 477
ARG A 461
MET A 473
 None
 1.28A 3wipB-2hk5A:
undetectable
3wipC-2hk5A:
undetectable		 3wipB-2hk5A:
22.85
3wipC-2hk5A:
22.85
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.
2inc TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT
TOLUENE, O-XYLENE
MONOOXYGENASE
OXYGENASE SUBUNIT

(Pseudomonas
stutzeri;
Pseudomonas
stutzeri) 		PF02332
(Phenol_Hydrox)
PF04945
(YHS)
PF02332
(Phenol_Hydrox) 		4 TYR B  37
TRP B  46
THR A 182
ARG A 183
 None
 1.37A 3wipB-2incB:
undetectable
3wipC-2incB:
undetectable		 3wipB-2incB:
19.65
3wipC-2incB:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpt LIPOLYTIC ENZYME

(Ruminiclostridium
thermocellum) 		PF13472
(Lipase_GDSL_2) 		4 TYR A 159
THR A  46
TYR A 214
ARG A  58
 None
 1.46A 3wipB-2vptA:
undetectable
3wipC-2vptA:
undetectable		 3wipB-2vptA:
21.40
3wipC-2vptA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wqs AGGLUTININ RECEPTOR

(Streptococcus
gordonii) 		PF16364
(Antigen_C) 		4 TYR A1230
THR A1218
TYR A1105
ARG A1142
 None
 1.30A 3wipB-2wqsA:
undetectable
3wipC-2wqsA:
undetectable		 3wipB-2wqsA:
20.75
3wipC-2wqsA:
20.75
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		4 TYR A 380
THR A 451
TYR A 449
TRP A 459
 HAS  A1015 (-4.9A)
None
None
None
 1.43A 3wipB-2yevA:
undetectable
3wipC-2yevA:
undetectable		 3wipB-2yevA:
13.22
3wipC-2yevA:
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.
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) 		4 TYR A 442
THR A 363
TYR B  43
MET A 369
 4AG  A1200 (-3.5A)
None
None
HAS  A1016 ( 4.8A)
 1.44A 3wipB-2yevA:
undetectable
3wipC-2yevA:
undetectable		 3wipB-2yevA:
13.22
3wipC-2yevA:
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.
3bh1 UPF0371 PROTEIN
DIP2346

(Corynebacterium
diphtheriae) 		PF08903
(DUF1846) 		4 TYR A 166
THR A 170
TYR A  32
ARG A 171
 None
 1.47A 3wipB-3bh1A:
undetectable
3wipC-3bh1A:
undetectable		 3wipB-3bh1A:
18.09
3wipC-3bh1A:
18.09
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.
3c6l TCR 2W20 BETA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR B  62
THR B  18
TYR B  87
TRP B  32
 None
 1.19A 3wipB-3c6lB:
undetectable
3wipC-3c6lB:
undetectable		 3wipB-3c6lB:
22.39
3wipC-3c6lB:
22.39
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.
3go1 FAB 268-D, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR L  74
TYR L  86
TRP L  35
ARG L  20
 None
 1.32A 3wipB-3go1L:
3.1
3wipC-3go1L:
3.0		 3wipB-3go1L:
23.89
3wipC-3go1L:
23.89
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.
3iyp COMPLEMENT
DECAY-ACCELERATING
FACTOR

(Homo sapiens) 		PF00084
(Sushi) 		4 TRP F 119
THR F  70
TYR F  81
TYR F  95
 None
 1.49A 3wipB-3iypF:
undetectable
3wipC-3iypF:
undetectable		 3wipB-3iypF:
21.09
3wipC-3iypF:
21.09
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.
3j31 COAT PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 4 TYR A  59
THR A  91
TYR A 267
TYR A  88
 None
 1.50A 3wipB-3j31A:
undetectable
3wipC-3j31A:
undetectable		 3wipB-3j31A:
19.51
3wipC-3j31A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxj TYROSINE-PROTEIN
PHOSPHATASE LAR

(Drosophila
melanogaster) 		PF07679
(I-set) 		4 THR A  84
TYR A 109
TRP A  69
ARG A  96
 None
 1.45A 3wipB-3pxjA:
undetectable
3wipC-3pxjA:
undetectable		 3wipB-3pxjA:
20.68
3wipC-3pxjA:
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.
3q6g LIGHT CHAIN OF FAB
OF RHESUS MAB 2.5B

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR L  74
TYR L  86
TRP L  35
ARG L  20
 None
 1.19A 3wipB-3q6gL:
undetectable
3wipC-3q6gL:
undetectable		 3wipB-3q6gL:
20.42
3wipC-3q6gL:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rkx BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Staphylococcus
aureus) 		PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		4 TYR A 242
TRP A  67
TYR A  75
MET A 137
 None
 1.12A 3wipB-3rkxA:
undetectable
3wipC-3rkxA:
undetectable		 3wipB-3rkxA:
20.54
3wipC-3rkxA:
20.54
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.
3uel POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Rattus
norvegicus) 		PF05028
(PARG_cat) 		4 THR A 768
TYR A 649
TYR A 652
ARG A 695
 None
 1.49A 3wipB-3uelA:
undetectable
3wipC-3uelA:
undetectable		 3wipB-3uelA:
17.65
3wipC-3uelA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E

(Homo sapiens) 		PF00067
(p450) 		4 TYR A 401
THR A 422
TYR A 412
TYR A 433
 None
 1.40A 3wipB-3v8dA:
undetectable
3wipC-3v8dA:
undetectable		 3wipB-3v8dA:
17.98
3wipC-3v8dA:
17.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zdh ACETYLCHOLINE
BINDING PROTEIN

(Lymnaea
stagnalis) 		PF02931
(Neur_chan_LBD) 		5 TYR A  89
TRP A 143
THR A 144
TYR A 185
TYR A 192
 None
XRS  A 301 (-3.6A)
XRS  A 301 ( 4.4A)
XRS  A 301 ( 4.1A)
XRS  A 301 (-3.8A)
 0.48A 3wipB-3zdhA:
32.2
3wipC-3zdhA:
32.4		 3wipB-3zdhA:
100.00
3wipC-3zdhA:
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.
4aiz V2-17 PROTEIN

(Homo sapiens) 		PF07686
(V-set) 		4 THR A  73
TYR A  85
TRP A  34
ARG A  19
 None
 1.30A 3wipB-4aizA:
undetectable
3wipC-4aizA:
undetectable		 3wipB-4aizA:
21.40
3wipC-4aizA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4az3 LYSOSOMAL PROTECTIVE
PROTEIN 32 KDA CHAIN
LYSOSOMAL PROTECTIVE
PROTEIN 20 KDA CHAIN

(Homo sapiens;
Homo sapiens) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		4 TYR A 155
TYR A 151
ARG B 347
MET B 349
 None
 1.47A 3wipB-4az3A:
undetectable
3wipC-4az3A:
undetectable		 3wipB-4az3A:
19.18
3wipC-4az3A:
19.18
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.
4c95 DNA POLYMERASE
ALPHA-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF12341
(Mcl1_mid) 		4 TRP A 763
THR A 484
TYR A 677
ARG A 492
 None
 1.26A 3wipB-4c95A:
undetectable
3wipC-4c95A:
undetectable		 3wipB-4c95A:
17.82
3wipC-4c95A:
17.82
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.
4hk0 UCA LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR B  73
TYR B  85
TRP B  34
ARG B  19
 None
 1.22A 3wipB-4hk0B:
undetectable
3wipC-4hk0B:
undetectable		 3wipB-4hk0B:
22.59
3wipC-4hk0B:
22.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA

(Lymnaea
stagnalis;
Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 TYR A  91
TRP A 145
THR A 146
TYR A 191
 None
 0.64A 3wipB-4hqpA:
25.6
3wipC-4hqpA:
26.8		 3wipB-4hqpA:
57.52
3wipC-4hqpA:
57.52
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.
4juo DNA TOPOISOMERASE 4
SUBUNIT B

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c) 		4 TYR C 580
THR C 595
TYR C 557
TRP C 559
 None
 1.42A 3wipB-4juoC:
undetectable
3wipC-4juoC:
undetectable		 3wipB-4juoC:
15.19
3wipC-4juoC:
15.19
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.
4jy4 PGT121 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR A  74
TYR A  86
TRP A  35
ARG A  20
 None
 1.45A 3wipB-4jy4A:
3.1
3wipC-4jy4A:
3.1		 3wipB-4jy4A:
23.43
3wipC-4jy4A:
23.43
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.
4jzn ANTI-HCV E2 FAB
HC84-1 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR B  73
TYR B  85
TRP B  34
ARG B  19
 None
 1.28A 3wipB-4jznB:
3.0
3wipC-4jznB:
3.0		 3wipB-4jznB:
23.63
3wipC-4jznB:
23.63
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.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A1013
THR A 953
TYR A 955
ARG A 952
 None
 1.20A 3wipB-4oliA:
undetectable
3wipC-4oliA:
undetectable		 3wipB-4oliA:
16.43
3wipC-4oliA:
16.43
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.
4pwv P450 MONOOXYGENASE

(Streptomyces
sp. Acta 2897) 		PF00067
(p450) 		4 THR A  37
TYR A  42
TRP A  32
ARG A  58
 None
 1.48A 3wipB-4pwvA:
undetectable
3wipC-4pwvA:
undetectable		 3wipB-4pwvA:
20.43
3wipC-4pwvA:
20.43
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.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		4 TYR A 142
THR A 138
TYR A 134
ARG A 209
 None
 1.48A 3wipB-4tmcA:
undetectable
3wipC-4tmcA:
undetectable		 3wipB-4tmcA:
21.29
3wipC-4tmcA:
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.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL

(synthetic
construct) 		PF07714
(Pkinase_Tyr) 		4 TYR A 222
TRP A 242
ARG A 226
MET A 238
 None
 1.27A 3wipB-4ueuA:
undetectable
3wipC-4ueuA:
undetectable		 3wipB-4ueuA:
21.40
3wipC-4ueuA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wr3 ALANINE RACEMASE,
BIOSYNTHETIC

(Escherichia
coli) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 TRP A 120
THR A 118
TRP A 207
ARG A 151
 None
 1.41A 3wipB-4wr3A:
undetectable
3wipC-4wr3A:
undetectable		 3wipB-4wr3A:
20.49
3wipC-4wr3A:
20.49
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.
4zgv FERREDOXIN RECEPTOR

(Pectobacterium
atrosepticum) 		PF07715
(Plug) 		4 TYR A 362
THR A 416
TYR A 341
TYR A 364
 None
None
BOG  A 903 (-4.1A)
None
 1.23A 3wipB-4zgvA:
undetectable
3wipC-4zgvA:
undetectable		 3wipB-4zgvA:
14.07
3wipC-4zgvA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5esa ANTI-HCV E2
GLYCOPROTEIN FAB
LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR B  73
TYR B  85
TRP B  34
ARG B  19
 None
 1.19A 3wipB-5esaB:
2.9
3wipC-5esaB:
undetectable		 3wipB-5esaB:
23.95
3wipC-5esaB:
23.95
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.
5euo PF6 TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR F  62
THR F  18
TYR F  87
TRP F  32
 None
 1.23A 3wipB-5euoF:
3.0
3wipC-5euoF:
undetectable		 3wipB-5euoF:
21.76
3wipC-5euoF:
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.
5fjv NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-2

(Homo sapiens) 		PF02931
(Neur_chan_LBD) 		5 TYR A 122
TRP A 178
THR A 179
TYR A 219
TYR A 226
 EPJ  A 300 (-4.6A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.3A)
EPJ  A 300 (-3.7A)
EPJ  A 300 (-3.7A)
 0.66A 3wipB-5fjvA:
22.6
3wipC-5fjvA:
22.9		 3wipB-5fjvA:
27.35
3wipC-5fjvA:
27.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gs0 LIGHT CHAIN
(ANTI-TLR3)

(Mus musculus) 		PF07686
(V-set) 		4 THR C  73
TYR C  85
TRP C  34
ARG C  19
 None
 1.38A 3wipB-5gs0C:
undetectable
3wipC-5gs0C:
undetectable		 3wipB-5gs0C:
22.17
3wipC-5gs0C:
22.17
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.
5j13 ANTI-TSLP
FAB-FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR B  76
TYR B  88
TRP B  37
ARG B  22
 None
 1.14A 3wipB-5j13B:
3.2
3wipC-5j13B:
3.1		 3wipB-5j13B:
22.18
3wipC-5j13B:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 THR A 281
TYR A 419
ARG A 294
MET A 296
 None
 1.48A 3wipB-5jo7A:
undetectable
3wipC-5jo7A:
undetectable		 3wipB-5jo7A:
17.98
3wipC-5jo7A:
17.98
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.
5jph ACETYLTRANSFERASE
SACOL1063

(Staphylococcus
aureus) 		PF13673
(Acetyltransf_10) 		4 TYR A  47
THR A  55
ARG A  18
MET A  74
 None
CL  A 203 (-3.8A)
CL  A 203 (-4.0A)
None
 1.35A 3wipB-5jphA:
undetectable
3wipC-5jphA:
undetectable		 3wipB-5jphA:
19.56
3wipC-5jphA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kxi NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 TYR A 100
TRP A 156
THR A 157
TYR A 197
TYR A 204
 NCT  A 402 (-4.8A)
NCT  A 402 (-3.9A)
NCT  A 402 (-4.6A)
NCT  A 402 ( 4.9A)
NCT  A 402 (-3.8A)
 0.76A 3wipB-5kxiA:
23.0
3wipC-5kxiA:
23.3		 3wipB-5kxiA:
20.93
3wipC-5kxiA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldr BETA-D-GALACTOSIDASE

(Paracoccus sp.
32d) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 THR B 300
TYR B 135
TYR B 303
ARG B 266
 None
 1.44A 3wipB-5ldrB:
2.6
3wipC-5ldrB:
undetectable		 3wipB-5ldrB:
15.17
3wipC-5ldrB:
15.17
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.
5mqs BETA-L-ARABINOBIOSID
ASE

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2) 		4 TYR A 346
THR A 321
TYR A 269
TYR A 322
 None
 1.36A 3wipB-5mqsA:
undetectable
3wipC-5mqsA:
undetectable		 3wipB-5mqsA:
12.50
3wipC-5mqsA:
12.50
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.
5n2d PROGRAMMED CELL
DEATH 1 LIGAND 1

(Homo sapiens) 		PF07686
(V-set) 		4 TYR A 112
THR A  37
TYR A  28
TRP A  57
 None
 1.28A 3wipB-5n2dA:
undetectable
3wipC-5n2dA:
undetectable		 3wipB-5n2dA:
18.70
3wipC-5n2dA:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nx2 GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2)
PF02793
(HRM) 		4 TYR A  88
TRP A 214
TYR A  69
ARG A 215
 None
 1.36A 3wipB-5nx2A:
undetectable
3wipC-5nx2A:
undetectable		 3wipB-5nx2A:
19.46
3wipC-5nx2A:
19.46
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 4 TYR B 450
TYR B 272
TRP B 451
ARG B 459
 None
 1.41A 3wipB-5ofbB:
undetectable
3wipC-5ofbB:
undetectable		 3wipB-5ofbB:
undetectable
3wipC-5ofbB:
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.
5tul TETRACYCLINE
DESTRUCTASE TET(55)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		4 TYR A  26
TYR A 310
TYR A 385
ARG A 328
 None
 1.49A 3wipB-5tulA:
undetectable
3wipC-5tulA:
undetectable		 3wipB-5tulA:
18.18
3wipC-5tulA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uz7 CALCITONIN RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2) 		4 TYR R 262
TYR R 243
TRP R 236
ARG R 180
 None
 1.05A 3wipB-5uz7R:
undetectable
3wipC-5uz7R:
undetectable		 3wipB-5uz7R:
17.37
3wipC-5uz7R:
17.37
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.
5vqh TUDOR AND KH
DOMAIN-CONTAINING
PROTEIN HOMOLOG

(Bombyx mori) 		PF00567
(TUDOR) 		4 TRP A  69
TYR A  93
ARG A  68
MET A  35
 None
2MR  A 501 (-3.9A)
2MR  A 501 (-4.4A)
None
 1.38A 3wipB-5vqhA:
undetectable
3wipC-5vqhA:
undetectable		 3wipB-5vqhA:
22.56
3wipC-5vqhA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x06 DNAA REGULATORY
INACTIVATOR HDA

(Escherichia
coli) 		no annotation 4 TYR E  45
THR E 135
TYR E  47
ARG E  56
 None
None
None
ADP  E1001 (-4.1A)
 1.20A 3wipB-5x06E:
undetectable
3wipC-5x06E:
undetectable		 3wipB-5x06E:
undetectable
3wipC-5x06E:
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.
5xj4 PROGRAMMED CELL
DEATH 1 LIGAND 1

(Homo sapiens) 		no annotation 4 TYR A 112
THR A  37
TYR A  28
TRP A  57
 None
 1.22A 3wipB-5xj4A:
undetectable
3wipC-5xj4A:
undetectable		 3wipB-5xj4A:
undetectable
3wipC-5xj4A:
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.
5y0q UPF0348 PROTEIN
B4417_3650

(Bacillus
subtilis) 		no annotation 4 THR A 246
TYR A 237
TRP A 244
MET A 214
 None
 1.38A 3wipB-5y0qA:
undetectable
3wipC-5y0qA:
undetectable		 3wipB-5y0qA:
undetectable
3wipC-5y0qA:
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 4 TYR A 530
THR A 483
TYR A 573
TRP A 480
 None
 1.20A 3wipB-5z06A:
undetectable
3wipC-5z06A:
undetectable		 3wipB-5z06A:
undetectable
3wipC-5z06A:
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.
5zzn


(;
) 		no annotation
no annotation 		4 THR V  63
TYR U  42
TYR V  82
ARG U  39
 None
None
HEM  V 201 (-4.6A)
None
 1.26A 3wipB-5zznV:
undetectable
3wipC-5zznV:
undetectable		 3wipB-5zznV:
undetectable
3wipC-5zznV:
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.
6amu -

(-) 		no annotation 4 TYR E  67
THR E  23
TYR E  92
TRP E  37
 None
 1.26A 3wipB-6amuE:
undetectable
3wipC-6amuE:
undetectable		 3wipB-6amuE:
undetectable
3wipC-6amuE:
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.
6cvz E3 UBIQUITIN-PROTEIN
LIGASE RFWD3

(Homo sapiens) 		no annotation 4 TYR A 593
TYR A 556
TYR A 554
ARG A 570
 None
 1.42A 3wipB-6cvzA:
undetectable
3wipC-6cvzA:
undetectable		 3wipB-6cvzA:
undetectable
3wipC-6cvzA:
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 THR A 155
TYR A  60
TYR A  55
ARG A  98
 None
 1.39A 3wipB-6dd3A:
undetectable
3wipC-6dd3A:
undetectable		 3wipB-6dd3A:
undetectable
3wipC-6dd3A:
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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 THR A 155
TYR A  65
TYR A  55
ARG A  98
 None
 1.28A 3wipB-6dd3A:
undetectable
3wipC-6dd3A:
undetectable		 3wipB-6dd3A:
undetectable
3wipC-6dd3A:
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.
6fm9 UDP-N-ACETYLGLUCOSAM
INE--DOLICHYL-PHOSPH
ATE
N-ACETYLGLUCOSAMINEP
HOSPHOTRANSFERASE

(Homo sapiens) 		no annotation 4 THR A 362
TYR A 288
ARG A 303
MET A 316
 None
 1.46A 3wipB-6fm9A:
undetectable
3wipC-6fm9A:
undetectable		 3wipB-6fm9A:
undetectable
3wipC-6fm9A:
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.
8fab IGG1-LAMBDA HIL FAB
(LIGHT CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 THR A  73
TYR A  85
TRP A  34
ARG A  19
 None
 1.14A 3wipB-8fabA:
3.1
3wipC-8fabA:
3.1		 3wipB-8fabA:
23.38
3wipC-8fabA:
23.38
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.
8pch CATHEPSIN H

(Sus scrofa) 		PF00112
(Peptidase_C1) 		4 TRP A 181
TYR A 149
ARG A 145
MET A 183
 None
 1.10A 3wipB-8pchA:
undetectable
3wipC-8pchA:
undetectable		 3wipB-8pchA:
19.60
3wipC-8pchA:
19.60