SIMILAR PATTERNS OF AMINO ACIDS FOR 3WIP_E_ACHE301_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
 1.23A 3wipA-1ae7A:
undetectable
3wipE-1ae7A:
undetectable		 3wipA-1ae7A:
16.50
3wipE-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 TRP A 416
TYR A 420
TYR A 112
TYR A 115
 None
 1.34A 3wipA-1b2hA:
undetectable
3wipE-1b2hA:
undetectable		 3wipA-1b2hA:
16.28
3wipE-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.
1hxm GAMMA-DELTA T-CELL
RECEPTOR

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TRP B  37
ARG B  20
THR B  83
TYR B  95
 None
 1.34A 3wipA-1hxmB:
0.6
3wipE-1hxmB:
0.7		 3wipA-1hxmB:
23.51
3wipE-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 TRP A 617
TYR A 836
THR A 574
TYR A 565
 None
 1.36A 3wipA-1i9zA:
0.0
3wipE-1i9zA:
0.0		 3wipA-1i9zA:
20.73
3wipE-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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		4 ARG A 517
TYR A 485
TRP A 510
THR A 546
 None
 1.16A 3wipA-1m1cA:
undetectable
3wipE-1m1cA:
0.0		 3wipA-1m1cA:
15.97
3wipE-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.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 TRP A 495
ARG A 479
MET A 491
TYR A 475
 None
 1.27A 3wipA-1opkA:
undetectable
3wipE-1opkA:
undetectable		 3wipA-1opkA:
18.35
3wipE-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 TRP A 108
MET A  67
THR A 139
TYR A  94
 None
 1.48A 3wipA-1q7sA:
undetectable
3wipE-1q7sA:
undetectable		 3wipA-1q7sA:
19.83
3wipE-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.
1wop AMINOMETHYLTRANSFERA
SE

(Thermotoga
maritima) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 TRP A 256
THR A 235
TYR A  83
TYR A 236
 None
None
FFO  A2887 (-3.9A)
FFO  A2887 (-3.9A)
 1.35A 3wipA-1wopA:
0.0
3wipE-1wopA:
0.0		 3wipA-1wopA:
21.73
3wipE-1wopA:
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.
2a3l AMP DEAMINASE

(Arabidopsis
thaliana) 		PF00962
(A_deaminase) 		4 TYR A 261
THR A 326
TYR A 636
TYR A 633
 None
 1.45A 3wipA-2a3lA:
0.0
3wipE-2a3lA:
undetectable		 3wipA-2a3lA:
14.63
3wipE-2a3lA:
14.63
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)
 0.76A 3wipA-2bj0A:
25.1
3wipE-2bj0A:
25.1		 3wipA-2bj0A:
40.44
3wipE-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.
2cxe RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Pyrococcus
horikoshii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 TRP A 178
TYR A 170
THR A 157
TYR A 223
 None
 1.21A 3wipA-2cxeA:
undetectable
3wipE-2cxeA:
undetectable		 3wipA-2cxeA:
18.29
3wipE-2cxeA:
18.29
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 TRP A 499
ARG A 483
MET A 495
TYR A 479
 None
 1.29A 3wipA-2hckA:
undetectable
3wipE-2hckA:
undetectable		 3wipA-2hckA:
20.18
3wipE-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 TRP A 477
ARG A 461
MET A 473
TYR A 457
 None
 1.29A 3wipA-2hk5A:
undetectable
3wipE-2hk5A:
undetectable		 3wipA-2hk5A:
22.85
3wipE-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 ARG A 183
TYR B  37
TRP B  46
THR A 182
 None
 1.36A 3wipA-2incA:
undetectable
3wipE-2incA:
undetectable		 3wipA-2incA:
17.86
3wipE-2incA:
17.86
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.
2p1y BISPECIFIC
ALPHA/BETA TCR

(Mus musculus) 		PF07686
(V-set) 		4 TRP A  34
TYR A  65
THR A  20
TYR A  90
 None
 1.31A 3wipA-2p1yA:
undetectable
3wipE-2p1yA:
undetectable		 3wipA-2p1yA:
21.46
3wipE-2p1yA:
21.46
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.
2vpt LIPOLYTIC ENZYME

(Ruminiclostridium
thermocellum) 		PF13472
(Lipase_GDSL_2) 		4 ARG A  58
TYR A 159
THR A  46
TYR A 214
 None
 1.48A 3wipA-2vptA:
undetectable
3wipE-2vptA:
undetectable		 3wipA-2vptA:
21.40
3wipE-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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		4 TRP A 459
TYR A 380
THR A 451
TYR A 449
 None
HAS  A1015 (-4.9A)
None
None
 1.42A 3wipA-2yevA:
undetectable
3wipE-2yevA:
undetectable		 3wipA-2yevA:
13.22
3wipE-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 MET A 369
TYR A 442
THR A 363
TYR B  43
 HAS  A1016 ( 4.8A)
4AG  A1200 (-3.5A)
None
None
 1.49A 3wipA-2yevA:
undetectable
3wipE-2yevA:
undetectable		 3wipA-2yevA:
13.22
3wipE-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.
3c6l TCR 2W20 BETA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TRP B  32
TYR B  62
THR B  18
TYR B  87
 None
 1.25A 3wipA-3c6lB:
undetectable
3wipE-3c6lB:
undetectable		 3wipA-3c6lB:
22.39
3wipE-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.
3j31 COAT PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 4 TYR A  59
THR A  91
TYR A 267
TYR A  88
 None
 1.49A 3wipA-3j31A:
undetectable
3wipE-3j31A:
undetectable		 3wipA-3j31A:
19.51
3wipE-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.
3qdm DMF4 BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TRP E  34
TYR E  64
THR E  20
TYR E  89
 None
 1.32A 3wipA-3qdmE:
undetectable
3wipE-3qdmE:
undetectable		 3wipA-3qdmE:
21.51
3wipE-3qdmE:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		4 TRP A 328
THR A 329
TYR A  69
TYR A 325
 None
 1.46A 3wipA-3rjyA:
undetectable
3wipE-3rjyA:
undetectable		 3wipA-3rjyA:
20.90
3wipE-3rjyA:
20.90
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.
3rkx BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Staphylococcus
aureus) 		PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		4 MET A 137
TYR A 242
TRP A  67
TYR A  75
 None
 1.16A 3wipA-3rkxA:
undetectable
3wipE-3rkxA:
undetectable		 3wipA-3rkxA:
20.54
3wipE-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.
3tf7 42F3 MUT7 SCFV (42F3
ALPHA CHAIN, LINKER,
42F3 BETA CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 TRP C 167
TYR C 197
THR C 153
TYR C 222
 None
 1.35A 3wipA-3tf7C:
undetectable
3wipE-3tf7C:
undetectable		 3wipA-3tf7C:
22.10
3wipE-3tf7C:
22.10
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.
3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E

(Homo sapiens) 		PF00067
(p450) 		4 TYR A 401
THR A 422
TYR A 412
TYR A 433
 None
 1.45A 3wipA-3v8dA:
undetectable
3wipE-3v8dA:
undetectable		 3wipA-3v8dA:
17.98
3wipE-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)
 0.50A 3wipA-3zdhA:
32.4
3wipE-3zdhA:
32.6		 3wipA-3zdhA:
100.00
3wipE-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.
4c95 DNA POLYMERASE
ALPHA-BINDING
PROTEIN

(Saccharomyces
cerevisiae) 		PF12341
(Mcl1_mid) 		4 ARG A 492
TRP A 763
THR A 484
TYR A 677
 None
 1.23A 3wipA-4c95A:
undetectable
3wipE-4c95A:
undetectable		 3wipA-4c95A:
17.82
3wipE-4c95A:
17.82
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
 0.58A 3wipA-4hqpA:
26.7
3wipE-4hqpA:
26.8		 3wipA-4hqpA:
57.52
3wipE-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 TRP C 559
TYR C 580
THR C 595
TYR C 557
 None
 1.43A 3wipA-4juoC:
undetectable
3wipE-4juoC:
undetectable		 3wipA-4juoC:
15.19
3wipE-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.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ARG A 952
TYR A1013
THR A 953
TYR A 955
 None
 1.28A 3wipA-4oliA:
undetectable
3wipE-4oliA:
undetectable		 3wipA-4oliA:
16.43
3wipE-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.
4puc SUSD HOMOLOG

(Bacteroides
uniformis) 		PF12741
(SusD-like) 		4 TRP A 313
ARG A 322
THR A 417
TYR A 333
 None
 1.49A 3wipA-4pucA:
undetectable
3wipE-4pucA:
undetectable		 3wipA-4pucA:
18.62
3wipE-4pucA:
18.62
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.
4quv DELTA(14)-STEROL
REDUCTASE

(Methylomicrobium
alcaliphilum) 		PF01222
(ERG4_ERG24) 		4 ARG A  61
TYR A  38
TRP A  63
TYR A  46
 None
 1.30A 3wipA-4quvA:
undetectable
3wipE-4quvA:
undetectable		 3wipA-4quvA:
18.06
3wipE-4quvA:
18.06
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.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		4 ARG A 209
TYR A 142
THR A 138
TYR A 134
 None
 1.49A 3wipA-4tmcA:
undetectable
3wipE-4tmcA:
undetectable		 3wipA-4tmcA:
21.29
3wipE-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 TRP A 242
ARG A 226
MET A 238
TYR A 222
 None
 1.28A 3wipA-4ueuA:
undetectable
3wipE-4ueuA:
undetectable		 3wipA-4ueuA:
21.40
3wipE-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 207
ARG A 151
TRP A 120
THR A 118
 None
 1.43A 3wipA-4wr3A:
undetectable
3wipE-4wr3A:
undetectable		 3wipA-4wr3A:
20.49
3wipE-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
 1.28A 3wipA-4zgvA:
undetectable
3wipE-4zgvA:
undetectable		 3wipA-4zgvA:
14.07
3wipE-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 TRP B  34
ARG B  19
THR B  73
TYR B  85
 None
 1.30A 3wipA-5esaB:
2.6
3wipE-5esaB:
2.5		 3wipA-5esaB:
23.95
3wipE-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 TRP F  32
TYR F  62
THR F  18
TYR F  87
 None
 1.33A 3wipA-5euoF:
undetectable
3wipE-5euoF:
undetectable		 3wipA-5euoF:
21.76
3wipE-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)
 0.70A 3wipA-5fjvA:
22.8
3wipE-5fjvA:
22.8		 3wipA-5fjvA:
27.35
3wipE-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.
5hyp C4B-BINDING PROTEIN
ALPHA CHAIN

(Homo sapiens) 		PF00084
(Sushi) 		4 TRP A  54
TYR A  56
THR A   7
TYR A  31
 None
 1.49A 3wipA-5hypA:
undetectable
3wipE-5hypA:
undetectable		 3wipA-5hypA:
19.23
3wipE-5hypA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iq9 10E8V4 HEAVY CHAIN
GP41 MPER PEPTIDE

(Homo sapiens;
Human
immunodeficiency
virus 1) 		PF07654
(C1-set)
PF07686
(V-set)
PF00517
(GP41) 		4 TRP C 672
THR A  95
TYR A  98
TYR A 100
 None
 1.43A 3wipA-5iq9C:
undetectable
3wipE-5iq9C:
undetectable		 3wipA-5iq9C:
14.39
3wipE-5iq9C:
14.39
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.
5j13 ANTI-TSLP
FAB-FRAGMENT, LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TRP B  37
ARG B  22
THR B  76
TYR B  88
 None
 1.24A 3wipA-5j13B:
undetectable
3wipE-5j13B:
undetectable		 3wipA-5j13B:
22.18
3wipE-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.
5jph ACETYLTRANSFERASE
SACOL1063

(Staphylococcus
aureus) 		PF13673
(Acetyltransf_10) 		4 ARG A  18
MET A  74
TYR A  47
THR A  55
 CL  A 203 (-4.0A)
None
None
CL  A 203 (-3.8A)
 1.35A 3wipA-5jphA:
undetectable
3wipE-5jphA:
undetectable		 3wipA-5jphA:
19.56
3wipE-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)
 0.74A 3wipA-5kxiA:
23.2
3wipE-5kxiA:
23.1		 3wipA-5kxiA:
20.93
3wipE-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.
5nx2 GLUCAGON-LIKE
PEPTIDE 1 RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2)
PF02793
(HRM) 		4 ARG A 215
TYR A  88
TRP A 214
TYR A  69
 None
 1.36A 3wipA-5nx2A:
undetectable
3wipE-5nx2A:
undetectable		 3wipA-5nx2A:
19.46
3wipE-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.
5uz7 CALCITONIN RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2) 		4 TRP R 236
ARG R 180
TYR R 262
TYR R 243
 None
 1.06A 3wipA-5uz7R:
undetectable
3wipE-5uz7R:
undetectable		 3wipA-5uz7R:
17.37
3wipE-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.
5uzn AT27789P

(Drosophila
melanogaster) 		no annotation 4 TYR A 553
THR A 557
TYR A 530
TYR A 481
 None
 1.39A 3wipA-5uznA:
undetectable
3wipE-5uznA:
undetectable		 3wipA-5uznA:
13.97
3wipE-5uznA:
13.97
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.
5xj4 PROGRAMMED CELL
DEATH 1 LIGAND 1

(Homo sapiens) 		no annotation 4 TRP A  57
TYR A 112
THR A  37
TYR A  28
 None
 1.30A 3wipA-5xj4A:
3.2
3wipE-5xj4A:
3.3		 3wipA-5xj4A:
undetectable
3wipE-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.
5zzn


(;
) 		no annotation
no annotation 		4 ARG U  39
THR V  63
TYR U  42
TYR V  82
 None
None
None
HEM  V 201 (-4.6A)
 1.26A 3wipA-5zznU:
undetectable
3wipE-5zznU:
undetectable		 3wipA-5zznU:
undetectable
3wipE-5zznU:
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 TRP E  37
TYR E  67
THR E  23
TYR E  92
 None
 1.34A 3wipA-6amuE:
undetectable
3wipE-6amuE:
undetectable		 3wipA-6amuE:
undetectable
3wipE-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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 ARG A  98
THR A 155
TYR A  60
TYR A  55
 None
 1.37A 3wipA-6dd3A:
undetectable
3wipE-6dd3A:
undetectable		 3wipA-6dd3A:
undetectable
3wipE-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 ARG A 303
MET A 316
THR A 362
TYR A 288
 None
 1.49A 3wipA-6fm9A:
undetectable
3wipE-6fm9A:
undetectable		 3wipA-6fm9A:
undetectable
3wipE-6fm9A:
undetectable