SIMILAR PATTERNS OF AMINO ACIDS FOR 3A8I_A_C2FA401

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.
1c8o ICE INHIBITOR

(Cowpox virus) 		PF00079
(Serpin) 		5 ILE A  29
VAL A  26
MET A 278
PHE A  77
TYR A  66
 None
 1.29A 3a8iA-1c8oA:
undetectable		 3a8iA-1c8oA:
21.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v5v AMINOMETHYLTRANSFERA
SE

(Pyrococcus
horikoshii) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		6 MET A  55
TYR A  87
MET A 153
PHE A 179
TYR A 198
ARG A 251
 None
 0.83A 3a8iA-1v5vA:
43.5		 3a8iA-1v5vA:
37.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wop AMINOMETHYLTRANSFERA
SE

(Thermotoga
maritima) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		8 MET A  51
TYR A  83
ASP A  96
TYR A 100
VAL A 110
ASN A 112
TYR A 188
ARG A 227
 FFO  A2887 (-4.6A)
FFO  A2887 (-3.9A)
FFO  A2887 (-3.1A)
None
FFO  A2887 (-4.0A)
FFO  A2887 (-3.3A)
FFO  A2887 (-3.5A)
FFO  A2887 (-3.6A)
 0.53A 3a8iA-1wopA:
48.1		 3a8iA-1wopA:
40.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		7 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 0.28A 3a8iA-1wsvA:
46.8		 3a8iA-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		6 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
ARG  A 233 (-0.6A)
 1.11A 3a8iA-1wsvA:
46.8		 3a8iA-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 MET A  52
ASP A  96
TYR A 101
VAL A 111
ASN A 113
 None
 1.44A 3a8iA-1yx2A:
44.4		 3a8iA-1yx2A:
40.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		7 MET A  52
TYR A  84
ASP A  97
TYR A 101
VAL A 111
ASN A 113
TYR A 189
 None
 0.58A 3a8iA-1yx2A:
44.4		 3a8iA-1yx2A:
40.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 TYR A  84
ASP A  97
ASN A 113
TYR A 189
ARG A 228
 None
 1.39A 3a8iA-1yx2A:
44.4		 3a8iA-1yx2A:
40.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		7 TYR A  84
ASP A  97
TYR A 101
VAL A 111
ASN A 113
PHE A 169
TYR A 189
 None
 0.48A 3a8iA-1yx2A:
44.4		 3a8iA-1yx2A:
40.53
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 MET A  15
TYR A 356
ASP A  97
ILE A  91
VAL A  90
 None
 1.37A 3a8iA-2e8yA:
0.0		 3a8iA-2e8yA:
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.
2ehb CALCINEURIN B-LIKE
PROTEIN 4

(Arabidopsis
thaliana) 		PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 MET A 190
ILE A  78
ASN A 189
TYR A 119
MET A 135
 None
 1.48A 3a8iA-2ehbA:
undetectable		 3a8iA-2ehbA:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a8k AMINOMETHYLTRANSFERA
SE

(Escherichia
coli) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		8 MET A  51
ASP A  96
ILE A  99
TYR A 101
VAL A 111
ASN A 113
MET A 143
ARG A 223
 None
 1.36A 3a8iA-3a8kA:
60.9		 3a8iA-3a8kA:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3a8k AMINOMETHYLTRANSFERA
SE

(Escherichia
coli) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		11 MET A  51
TYR A  84
ILE A  99
TYR A 101
VAL A 111
ASN A 113
MET A 143
PHE A 173
TYR A 188
ARG A 223
MET A 232
 None
 0.47A 3a8iA-3a8kA:
60.9		 3a8iA-3a8kA:
99.73
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.
3few COLICIN S4

(Escherichia
coli) 		PF01024
(Colicin) 		5 TYR X 231
ASP X 305
ILE X 302
TYR X 293
PHE X 292
 None
 1.45A 3a8iA-3fewX:
0.0		 3a8iA-3fewX:
22.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gir AMINOMETHYLTRANSFERA
SE

(Bartonella
henselae) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		8 MET A  63
TYR A  95
ASP A 108
ILE A 110
VAL A 122
ASN A 124
TYR A 194
ARG A 230
 None
 0.48A 3a8iA-3girA:
45.7		 3a8iA-3girA:
34.78
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.
3qvo NMRA FAMILY PROTEIN

(Shigella
flexneri) 		PF13460
(NAD_binding_10) 		5 ASP A 184
ILE A 182
TYR A  71
VAL A  17
TYR A 159
 None
 1.35A 3a8iA-3qvoA:
undetectable		 3a8iA-3qvoA:
22.73
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.
3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)

(Archaeoglobus
fulgidus) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		5 MET A 370
ILE A 207
ASN A 224
PHE A 167
TYR A 196
 None
 1.05A 3a8iA-3qw2A:
undetectable		 3a8iA-3qw2A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3win HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		5 ASP E 535
ILE E 537
TYR E 539
VAL E 608
PHE E 461
 None
 1.33A 3a8iA-3winE:
undetectable		 3a8iA-3winE:
22.03
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 TYR B 289
ASP B 259
ILE B 226
VAL A 325
TYR B 318
 None
 1.33A 3a8iA-4cakB:
undetectable		 3a8iA-4cakB:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dal PUTATIVE ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 TYR A 287
ILE A 254
TYR A 256
VAL A 410
TYR A 427
 None
 1.48A 3a8iA-4dalA:
undetectable		 3a8iA-4dalA:
25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4idm DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 ASP A 147
ILE A 139
TYR A 135
VAL A  15
ASN A  12
 None
 1.46A 3a8iA-4idmA:
undetectable		 3a8iA-4idmA:
22.50
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.
4jg5 PUTATIVE CELL
ADHESION PROTEIN

(Parabacteroides
distasonis) 		PF06321
(P_gingi_FimA) 		5 ILE A 109
TYR A 125
VAL A 149
PHE A 128
ARG A 318
 None
 1.20A 3a8iA-4jg5A:
undetectable		 3a8iA-4jg5A:
23.49
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.
4jge RED FLUORESCENT
PROTEIN BLFP-R5

(Branchiostoma
lanceolatum) 		PF01353
(GFP) 		5 ILE A 152
TYR A 146
PHE A 178
TYR A  62
ARG A 196
 None
None
None
CR2  A  58 ( 3.5A)
CR2  A  58 ( 3.9A)
 1.10A 3a8iA-4jgeA:
undetectable		 3a8iA-4jgeA:
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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 MET A 249
ILE A 195
VAL A 231
MET A 246
PHE A 176
 None
 1.48A 3a8iA-4nk6A:
undetectable		 3a8iA-4nk6A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 MET A 249
ILE A 195
VAL A 231
MET A 246
PHE A 176
 None
 1.43A 3a8iA-4ozyA:
undetectable		 3a8iA-4ozyA:
21.52
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.
5cz3 M64R

(Myxoma virus) 		PF03287
(Pox_C7_F8A) 		5 ASP A  10
ILE A  20
VAL A  18
PHE A 116
TYR A 136
 None
 1.15A 3a8iA-5cz3A:
undetectable		 3a8iA-5cz3A:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 MET A  61
ASP A 106
ILE A 108
VAL A 120
PHE A 189
 THG  A 501 (-3.4A)
None
THG  A 501 (-3.7A)
THG  A 501 (-4.0A)
THG  A 501 (-4.1A)
 0.54A 3a8iA-5x1nA:
28.2		 3a8iA-5x1nA:
26.49
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 ILE A2059
TYR A2048
VAL A2046
ASN A2309
PHE A2068
 None
 1.33A 3a8iA-6fb3A:
undetectable		 3a8iA-6fb3A:
undetectable