SIMILAR PATTERNS OF AMINO ACIDS FOR 3A8I_D_C2FD401

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.
1oyw ATP-DEPENDENT DNA
HELICASE

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 ILE A 240
TYR A 242
VAL A 308
PHE A 296
ARG A 210
 None
 1.48A 3a8iD-1oywA:
0.0		 3a8iD-1oywA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 MET A 288
ASP A 225
ILE A 228
TYR A 296
MET A 266
 None
 1.38A 3a8iD-1pd1A:
0.8		 3a8iD-1pd1A:
19.39
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) 		5 MET A  55
TYR A  87
PHE A 179
TYR A 198
ARG A 251
 None
 0.88A 3a8iD-1v5vA:
43.3		 3a8iD-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) 		9 MET A  51
TYR A  83
ASP A  96
TYR A 100
VAL A 110
ASN A 112
TYR A 188
ARG A 227
TRP A 256
 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)
None
 0.57A 3a8iD-1wopA:
47.9		 3a8iD-1wopA:
40.11
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) 		5 TYR A  83
ASP A  96
VAL A 111
TYR A 188
TRP A 256
 FFO  A2887 (-3.9A)
FFO  A2887 (-3.1A)
None
FFO  A2887 (-3.5A)
None
 1.47A 3a8iD-1wopA:
47.9		 3a8iD-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) 		8 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 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)
TRP  A 262 ( 0.5A)
 0.39A 3a8iD-1wsvA:
46.3		 3a8iD-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) 		7 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
TYR A 197
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)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.12A 3a8iD-1wsvA:
46.3		 3a8iD-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
 1.42A 3a8iD-1yx2A:
44.6		 3a8iD-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
 0.59A 3a8iD-1yx2A:
44.6		 3a8iD-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
 1.31A 3a8iD-1yx2A:
44.6		 3a8iD-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 3a8iD-1yx2A:
44.6		 3a8iD-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
 1.38A 3a8iD-2e8yA:
0.0		 3a8iD-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
 1.45A 3a8iD-2ehbA:
undetectable		 3a8iD-2ehbA:
20.17
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.
2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 TYR A 251
ILE A 253
VAL A 287
PHE A 316
TYR A 296
 None
 1.44A 3a8iD-2xh6A:
undetectable		 3a8iD-2xh6A:
22.16
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) 		7 MET A  51
ASP A  96
ILE A  99
TYR A 101
VAL A 111
ASN A 113
ARG A 223
 None
 1.33A 3a8iD-3a8kA:
58.8		 3a8iD-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
PHE A 173
TYR A 188
ARG A 223
MET A 232
TRP A 252
 None
 0.47A 3a8iD-3a8kA:
58.8		 3a8iD-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
 1.43A 3a8iD-3fewX:
undetectable		 3a8iD-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) 		9 MET A  63
TYR A  95
ASP A 108
ILE A 110
VAL A 122
ASN A 124
TYR A 194
ARG A 230
TRP A 259
 None
 0.50A 3a8iD-3girA:
45.2		 3a8iD-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.
3otl PUTATIVE
UNCHARACTERIZED
PROTEIN

(Rhizobium
leguminosarum) 		PF08327
(AHSA1) 		5 MET A 117
ILE A  86
TYR A  88
VAL A 106
PHE A  53
 None
 1.25A 3a8iD-3otlA:
undetectable		 3a8iD-3otlA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 3a8iD-3qw2A:
undetectable		 3a8iD-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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		5 TYR A 229
ASP A 291
ILE A 218
PHE A 222
ARG A 473
 None
ANP  A 801 ( 4.0A)
None
None
ANP  A 801 (-3.0A)
 1.44A 3a8iD-3rc3A:
undetectable		 3a8iD-3rc3A:
19.68
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.
3win HA3

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		5 ASP E 535
ILE E 537
TYR E 539
VAL E 608
PHE E 461
 None
 1.31A 3a8iD-3winE:
undetectable		 3a8iD-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 3a8iD-4cakB:
undetectable		 3a8iD-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
 1.44A 3a8iD-4dalA:
undetectable		 3a8iD-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 3a8iD-4idmA:
undetectable		 3a8iD-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 3a8iD-4jg5A:
undetectable		 3a8iD-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)
 1.12A 3a8iD-4jgeA:
undetectable		 3a8iD-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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 TYR A 251
ILE A 253
VAL A 287
PHE A 316
TYR A 296
 None
 1.44A 3a8iD-4p5hA:
undetectable		 3a8iD-4p5hA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u7d ATP-DEPENDENT DNA
HELICASE Q1

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		5 ILE A 318
TYR A 320
VAL A 386
PHE A 374
ARG A 283
 None
 1.39A 3a8iD-4u7dA:
undetectable		 3a8iD-4u7dA:
21.85
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.
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
 1.18A 3a8iD-5cz3A:
undetectable		 3a8iD-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.
5lb8 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		5 ILE A 263
TYR A 265
VAL A 331
PHE A 319
MET A 306
 None
 1.03A 3a8iD-5lb8A:
undetectable		 3a8iD-5lb8A:
21.43
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.
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)
 0.57A 3a8iD-5x1nA:
28.2		 3a8iD-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
 1.43A 3a8iD-6fb3A:
undetectable		 3a8iD-6fb3A:
undetectable