SIMILAR PATTERNS OF AMINO ACIDS FOR 3WIP_A_ACHA301_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
 1.16A 3wipA-1ae7A:
undetectable
3wipB-1ae7A:
undetectable		 3wipA-1ae7A:
16.50
3wipB-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.
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
 1.17A 3wipA-1m1cA:
undetectable
3wipB-1m1cA:
undetectable		 3wipA-1m1cA:
15.97
3wipB-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
 1.46A 3wipA-1nluA:
undetectable
3wipB-1nluA:
undetectable		 3wipA-1nluA:
20.21
3wipB-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.
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
 1.20A 3wipA-1yvlA:
2.6
3wipB-1yvlA:
undetectable		 3wipA-1yvlA:
13.60
3wipB-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
 1.44A 3wipA-2aeyA:
0.0
3wipB-2aeyA:
0.0		 3wipA-2aeyA:
17.21
3wipB-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)
 0.66A 3wipA-2bj0A:
25.1
3wipB-2bj0A:
24.6		 3wipA-2bj0A:
40.44
3wipB-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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A 441
TRP A 477
TYR A 457
MET A 474
 None
 1.17A 3wipA-2hk5A:
undetectable
3wipB-2hk5A:
undetectable		 3wipA-2hk5A:
22.85
3wipB-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
 1.36A 3wipA-2incB:
undetectable
3wipB-2incB:
undetectable		 3wipA-2incB:
19.65
3wipB-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
 1.49A 3wipA-2vptA:
undetectable
3wipB-2vptA:
undetectable		 3wipA-2vptA:
21.40
3wipB-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
 1.29A 3wipA-2wqsA:
undetectable
3wipB-2wqsA:
undetectable		 3wipA-2wqsA:
20.75
3wipB-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.
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
3wipB-3j31A:
undetectable		 3wipA-3j31A:
19.51
3wipB-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.
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 3wipA-3uelA:
undetectable
3wipB-3uelA:
undetectable		 3wipA-3uelA:
17.65
3wipB-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
 1.36A 3wipA-3v8dA:
undetectable
3wipB-3v8dA:
undetectable		 3wipA-3v8dA:
17.98
3wipB-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)
 0.40A 3wipA-3zdhA:
32.4
3wipB-3zdhA:
32.2		 3wipA-3zdhA:
100.00
3wipB-3zdhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aod ACETYLCHOLINE-BINDIN
G PROTEIN TYPE 1

(Biomphalaria
glabrata) 		PF02931
(Neur_chan_LBD) 		4 TRP A 146
THR A 147
TYR A 186
TYR A 193
 None
 0.84A 3wipA-4aodA:
24.5
3wipB-4aodA:
24.2		 3wipA-4aodA:
37.99
3wipB-4aodA:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4aoe ACETYLCHOLINE-BINDIN
G PROTEIN TYPE 2

(Biomphalaria
glabrata) 		PF02931
(Neur_chan_LBD) 		4 TYR A  92
TRP A 146
THR A 147
TYR A 186
 None
 0.80A 3wipA-4aoeA:
24.5
3wipB-4aoeA:
24.2		 3wipA-4aoeA:
33.76
3wipB-4aoeA:
33.76
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.
4aqt LAMININ SUBUNIT
GAMMA-1

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		4 TYR A 161
TYR A 175
TYR A 184
ARG A 253
 NAG  A3001 ( 4.1A)
None
None
None
 1.28A 3wipA-4aqtA:
undetectable
3wipB-4aqtA:
undetectable		 3wipA-4aqtA:
20.00
3wipB-4aqtA:
20.00
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 TRP A 763
THR A 484
TYR A 677
ARG A 492
 None
 1.33A 3wipA-4c95A:
undetectable
3wipB-4c95A:
undetectable		 3wipA-4c95A:
17.82
3wipB-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.
4d1d HYDANTOIN TRANSPORT
PROTEIN

(Microbacterium
liquefaciens) 		PF02133
(Transp_cyt_pur) 		4 TYR A 395
THR A  20
TYR A 465
ARG A  25
 None
 1.40A 3wipA-4d1dA:
undetectable
3wipB-4d1dA:
undetectable		 3wipA-4d1dA:
18.09
3wipB-4d1dA:
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.
4h14 SPIKE GLYCOPROTEIN

(Betacoronavirus
1) 		PF16451
(Spike_NTD) 		4 TYR A  50
THR A 266
TYR A 213
TYR A  67
 None
 1.38A 3wipA-4h14A:
undetectable
3wipB-4h14A:
undetectable		 3wipA-4h14A:
20.81
3wipB-4h14A:
20.81
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
 0.60A 3wipA-4hqpA:
26.7
3wipB-4hqpA:
25.6		 3wipA-4hqpA:
57.52
3wipB-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.
4log MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN
AND NR2E3 PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		4 TYR A 157
TRP A 342
ARG A  68
MET A 338
 None
 1.40A 3wipA-4logA:
undetectable
3wipB-4logA:
undetectable		 3wipA-4logA:
16.73
3wipB-4logA:
16.73
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.
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
 1.25A 3wipA-4oliA:
undetectable
3wipB-4oliA:
undetectable		 3wipA-4oliA:
16.43
3wipB-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.
4quv DELTA(14)-STEROL
REDUCTASE

(Methylomicrobium
alcaliphilum) 		PF01222
(ERG4_ERG24) 		4 TYR A  38
TRP A  63
TYR A  46
ARG A  61
 None
 1.29A 3wipA-4quvA:
undetectable
3wipB-4quvA:
undetectable		 3wipA-4quvA:
18.06
3wipB-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.
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
 1.25A 3wipA-4zgvA:
undetectable
3wipB-4zgvA:
undetectable		 3wipA-4zgvA:
14.07
3wipB-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.
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)
 0.67A 3wipA-5fjvA:
22.8
3wipB-5fjvA:
22.7		 3wipA-5fjvA:
27.35
3wipB-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.
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
 1.39A 3wipA-5jphA:
undetectable
3wipB-5jphA:
undetectable		 3wipA-5jphA:
19.56
3wipB-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.
5kdj F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		no annotation 4 TYR B 963
THR B 801
TYR B 908
TYR B 802
 None
 1.46A 3wipA-5kdjB:
undetectable
3wipB-5kdjB:
undetectable		 3wipA-5kdjB:
15.21
3wipB-5kdjB:
15.21
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		4 TYR A 963
THR A 801
TYR A 908
TYR A 802
 None
 1.47A 3wipA-5kdsA:
undetectable
3wipB-5kdsA:
undetectable		 3wipA-5kdsA:
16.01
3wipB-5kdsA:
16.01
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.
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
3wipB-5kxiA:
23.0		 3wipA-5kxiA:
20.93
3wipB-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
 1.40A 3wipA-5ldrB:
undetectable
3wipB-5ldrB:
2.6		 3wipA-5ldrB:
15.17
3wipB-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
 1.35A 3wipA-5mqsA:
undetectable
3wipB-5mqsA:
undetectable		 3wipA-5mqsA:
12.50
3wipB-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.
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
 1.30A 3wipA-5nx2A:
undetectable
3wipB-5nx2A:
undetectable		 3wipA-5nx2A:
19.46
3wipB-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.
5x8g 2-SUCCINYLBENZOATE--
COA LIGASE

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 TRP A 188
TYR A 209
ARG A 187
MET A 235
 None
 1.48A 3wipA-5x8gA:
undetectable
3wipB-5x8gA:
undetectable		 3wipA-5x8gA:
19.14
3wipB-5x8gA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.28A 3wipA-5zznV:
undetectable
3wipB-5zznV:
undetectable		 3wipA-5zznV:
undetectable
3wipB-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.
6dd3 CYTOSOLIC PURINE
5'-NUCLEOTIDASE

(Homo sapiens) 		no annotation 4 THR A 155
TYR A  60
TYR A  55
ARG A  98
 None
 1.35A 3wipA-6dd3A:
undetectable
3wipB-6dd3A:
undetectable		 3wipA-6dd3A:
undetectable
3wipB-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
 1.22A 3wipA-6dd3A:
undetectable
3wipB-6dd3A:
undetectable		 3wipA-6dd3A:
undetectable
3wipB-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
 1.23A 3wipA-6fm9A:
undetectable
3wipB-6fm9A:
undetectable		 3wipA-6fm9A:
undetectable
3wipB-6fm9A:
undetectable