SIMILAR PATTERNS OF AMINO ACIDS FOR 3A8I_C_C2FC401

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
 1.48A 3a8iC-1jnyA:
0.7		 3a8iC-1jnyA:
21.90
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
 0.84A 3a8iC-1v5vA:
43.2		 3a8iC-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
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)
None
FFO  A2887 (-4.0A)
FFO  A2887 (-3.3A)
FFO  A2887 (-3.5A)
FFO  A2887 (-3.6A)
None
 0.55A 3a8iC-1wopA:
47.9		 3a8iC-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) 		8 TYR A  83
TYR A 100
VAL A 110
ASN A 112
THR A 186
TYR A 188
ARG A 227
TRP A 256
 FFO  A2887 (-3.9A)
None
FFO  A2887 (-4.0A)
FFO  A2887 (-3.3A)
FFO  A2887 ( 4.9A)
FFO  A2887 (-3.5A)
FFO  A2887 (-3.6A)
None
 0.43A 3a8iC-1wopA:
47.9		 3a8iC-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
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
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)
 0.44A 3a8iC-1wsvA:
46.4		 3a8iC-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
TYR A 113
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
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)
 1.16A 3a8iC-1wsvA:
46.4		 3a8iC-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) 		7 MET A  52
TYR A  84
TYR A 101
VAL A 111
ASN A 113
PHE A 169
TYR A 189
 None
 0.66A 3a8iC-1yx2A:
44.5		 3a8iC-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
TYR A 101
VAL A 111
ASN A 113
PHE A 169
THR A 187
TYR A 189
 None
 0.59A 3a8iC-1yx2A:
44.5		 3a8iC-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.
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 3a8iC-2ehbA:
undetectable		 3a8iC-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.
2qh5 MANNOSE-6-PHOSPHATE
ISOMERASE

(Helicobacter
pylori) 		PF00483
(NTP_transferase) 		5 TYR A 183
ILE A 153
VAL A 161
ASN A 157
THR A 138
 None
 1.27A 3a8iC-2qh5A:
0.0		 3a8iC-2qh5A:
22.64
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.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		5 ILE A 115
ASN A 199
PHE A  86
THR A  90
MET A 127
 None
 1.39A 3a8iC-2rfbA:
0.0		 3a8iC-2rfbA:
21.27
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) 		12 MET A  51
TYR A  84
ILE A  99
TYR A 101
VAL A 111
ASN A 113
PHE A 173
THR A 186
TYR A 188
ARG A 223
MET A 232
TRP A 252
 None
 0.49A 3a8iC-3a8kA:
58.8		 3a8iC-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) 		8 MET A  63
TYR A  95
ILE A 110
VAL A 122
ASN A 124
TYR A 194
ARG A 230
TRP A 259
 None
 0.39A 3a8iC-3girA:
45.2		 3a8iC-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.
3oib ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TYR A 170
ILE A 172
TYR A 235
VAL A 238
THR A 190
 None
 1.43A 3a8iC-3oibA:
undetectable		 3a8iC-3oibA:
22.41
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
 1.30A 3a8iC-3otlA:
undetectable		 3a8iC-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
 0.94A 3a8iC-3qw2A:
undetectable		 3a8iC-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.
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
 1.49A 3a8iC-4dalA:
undetectable		 3a8iC-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.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 ILE A  90
VAL A  91
PHE A 199
THR A 113
MET A  98
 None
 1.35A 3a8iC-4ddwA:
undetectable		 3a8iC-4ddwA:
16.24
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
 1.19A 3a8iC-4jg5A:
undetectable		 3a8iC-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)
 1.18A 3a8iC-4jgeA:
undetectable		 3a8iC-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.
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
 1.41A 3a8iC-4u7dA:
undetectable		 3a8iC-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.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		5 TYR A 263
ILE A 266
TYR A 291
VAL A 261
THR A 269
 None
 1.35A 3a8iC-4uriA:
undetectable		 3a8iC-4uriA:
21.68
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.
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
 1.06A 3a8iC-5lb8A:
undetectable		 3a8iC-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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		5 ILE A 217
TYR A 148
THR A 251
TYR A 236
TRP A 172
 None
 1.17A 3a8iC-5u22A:
undetectable		 3a8iC-5u22A:
22.56
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 ILE A2059
TYR A2048
VAL A2046
ASN A2309
PHE A2068
 None
 1.44A 3a8iC-6fb3A:
undetectable		 3a8iC-6fb3A:
undetectable