SIMILAR PATTERNS OF AMINO ACIDS FOR 3A8I_B_C2FB401

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.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 TYR A 166
ILE A 169
TYR A 122
VAL A 173
TRP A 209
 None
 1.43A 3a8iB-1jnyA:
2.0		 3a8iB-1jnyA:
21.90
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.
1rtk COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 MET A 244
TYR A 401
ASP A 399
ILE A 360
PHE A 403
 None
 1.47A 3a8iB-1rtkA:
0.3		 3a8iB-1rtkA:
22.65
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		5 ASP A 292
ILE A 290
TYR A 276
VAL A 323
PHE A 279
 None
 1.22A 3a8iB-1v5cA:
undetectable		 3a8iB-1v5cA:
22.57
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
 0.82A 3a8iB-1v5vA:
43.1		 3a8iB-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
 0.50A 3a8iB-1wopA:
47.6		 3a8iB-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
 1.40A 3a8iB-1wopA:
47.6		 3a8iB-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)
 0.32A 3a8iB-1wsvA:
46.2		 3a8iB-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)
 1.12A 3a8iB-1wsvA:
46.2		 3a8iB-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 3a8iB-1yx2A:
43.7		 3a8iB-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 3a8iB-1yx2A:
43.7		 3a8iB-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
 1.42A 3a8iB-1yx2A:
43.7		 3a8iB-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
 0.55A 3a8iB-1yx2A:
43.7		 3a8iB-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 3a8iB-2e8yA:
4.0		 3a8iB-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.
2wsh ENDONUCLEASE II

(Escherichia
virus T4) 		PF01541
(GIY-YIG) 		5 TYR A  37
ILE A  39
VAL A  46
ASN A 130
PHE A  92
 PO4  A1133 (-4.7A)
None
None
None
None
 1.31A 3a8iB-2wshA:
undetectable		 3a8iB-2wshA:
18.46
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) 		6 MET A  51
ASP A  96
TYR A 101
VAL A 111
ASN A 113
ARG A 223
 None
 1.37A 3a8iB-3a8kA:
59.4		 3a8iB-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
 0.52A 3a8iB-3a8kA:
59.4		 3a8iB-3a8kA:
99.73
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
 0.47A 3a8iB-3girA:
45.3		 3a8iB-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
 1.29A 3a8iB-3otlA:
undetectable		 3a8iB-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.
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 3a8iB-4idmA:
undetectable		 3a8iB-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
 1.18A 3a8iB-4jg5A:
undetectable		 3a8iB-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)
 1.13A 3a8iB-4jgeA:
undetectable		 3a8iB-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.
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
 1.07A 3a8iB-5cz3A:
undetectable		 3a8iB-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
 1.02A 3a8iB-5lb8A:
undetectable		 3a8iB-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)
 0.53A 3a8iB-5x1nA:
28.0		 3a8iB-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.
6ehi NUCLEASE NUCT

(Helicobacter
pylori) 		no annotation 5 ILE A  56
TYR A  58
VAL A  82
PHE A  35
TYR A  77
 None
 1.48A 3a8iB-6ehiA:
undetectable		 3a8iB-6ehiA:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 ILE A2059
TYR A2048
VAL A2046
ASN A2309
PHE A2068
 None
 1.38A 3a8iB-6fb3A:
undetectable		 3a8iB-6fb3A:
undetectable