SIMILAR PATTERNS OF AMINO ACIDS FOR 6G31_H_ZOLH401

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.
1rqj GERANYLTRANSTRANSFER
ASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 ASP A 105
ASP A 111
GLN A 179
GLN A 241
 MG  A 907 (-2.5A)
MG  A 909 (-2.4A)
RIS  A 901 (-3.2A)
RIS  A 901 ( 3.6A)
 0.51A 6g31H-1rqjA:
23.3		 6g31H-1rqjA:
13.47
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.
1rqj GERANYLTRANSTRANSFER
ASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 ASP A 105
ASP A 111
GLN A 179
LYS A 268
 MG  A 907 (-2.5A)
MG  A 909 (-2.4A)
RIS  A 901 (-3.2A)
MG  A 909 ( 4.2A)
 1.42A 6g31H-1rqjA:
23.3		 6g31H-1rqjA:
13.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dh4 YPL069C

(Saccharomyces
cerevisiae) 		PF00348
(polyprenyl_synt) 		4 ASP A  80
ASP A  84
GLN A 147
GLN A 211
 MG  A 341 (-2.6A)
MG  A 341 (-3.0A)
None
None
 0.37A 6g31H-2dh4A:
33.9		 6g31H-2dh4A:
39.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dh4 YPL069C

(Saccharomyces
cerevisiae) 		PF00348
(polyprenyl_synt) 		4 ASP A  80
ASP A  84
GLN A 147
LYS A 238
 MG  A 341 (-2.6A)
MG  A 341 (-3.0A)
None
MG  A 341 ( 4.6A)
 0.88A 6g31H-2dh4A:
33.9		 6g31H-2dh4A:
39.56
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.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 ASP A 511
ASP A 364
GLN A 512
LYS A 331
 None
 1.21A 6g31H-2hnzA:
undetectable		 6g31H-2hnzA:
10.00
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.
2o1o PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE

(Cryptosporidium
parvum) 		PF00348
(polyprenyl_synt) 		4 ASP A 115
ASP A 119
GLN A 184
GLN A 251
 MG  A 503 (-2.5A)
MG  A 502 (-2.4A)
RIS  A 400 ( 3.5A)
RIS  A 400 (-3.1A)
 0.62A 6g31H-2o1oA:
23.5		 6g31H-2o1oA:
12.85
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.
2p22 SUPPRESSOR PROTEIN
STP22 OF
TEMPERATURE-SENSITIV
E ALPHA-FACTOR
RECEPTOR AND
ARGININE PERMEASE
PROTEIN SRN2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF09454
(Vps23_core)
PF07200
(Mod_r) 		4 ASP C 182
GLN A 362
GLN A 369
LYS C 186
 None
 1.34A 6g31H-2p22C:
5.8		 6g31H-2p22C:
18.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Homo sapiens) 		PF00348
(polyprenyl_synt) 		4 ASP A  64
ASP A  68
GLN A 126
GLN A 185
 GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 ( 3.5A)
GRG  A 500 (-3.2A)
 0.56A 6g31H-2q80A:
41.1		 6g31H-2q80A:
93.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q80 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Homo sapiens) 		PF00348
(polyprenyl_synt) 		4 ASP A  64
ASP A  68
GLN A 126
LYS A 212
 GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 ( 3.5A)
GRG  A 500 (-2.8A)
 0.98A 6g31H-2q80A:
41.1		 6g31H-2q80A:
93.67
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.
3pt5 NANS (YJHS), A
9-O-ACETYL
N-ACETYLNEURAMINIC
ACID ESTERASE

(Escherichia
coli) 		PF03629
(SASA) 		4 ASP A 226
GLN A 247
GLN A 262
LYS A 232
 None
 1.18A 6g31H-3pt5A:
undetectable		 6g31H-3pt5A:
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.
3q1o GERANYLTRANSTRANSFER
ASE (ISPA)

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		4 ASP A  92
ASP A  98
GLN A 163
GLN A 225
 MG  A 400 ( 2.8A)
MG  A 400 ( 3.2A)
DMA  A 501 (-3.6A)
DMA  A 501 ( 3.8A)
 0.62A 6g31H-3q1oA:
22.1		 6g31H-3q1oA:
14.29
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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		4 ASP A  98
ASP A 102
GLN A 167
GLN A 247
 MG  A 403 (-2.5A)
MG  A 403 (-2.4A)
0MW  A 404 (-3.7A)
0MW  A 404 ( 3.8A)
 0.57A 6g31H-4e1eA:
24.4		 6g31H-4e1eA:
11.98
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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		4 ASP A  98
ASP A 102
GLN A 167
LYS A 273
 MG  A 403 (-2.5A)
MG  A 403 (-2.4A)
0MW  A 404 (-3.7A)
MG  A 403 ( 4.5A)
 1.38A 6g31H-4e1eA:
24.4		 6g31H-4e1eA:
11.98
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.
4fp4 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		4 ASP A  86
ASP A  90
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
GER  A 301 ( 4.7A)
None
 0.89A 6g31H-4fp4A:
18.4		 6g31H-4fp4A:
13.62
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.
4jzx FARNESYL
PYROPHOSPHATE
SYNTHASE

(Leishmania
major) 		PF00348
(polyprenyl_synt) 		4 ASP A  98
ASP A 102
GLN A 167
GLN A 247
 CA  A 403 (-2.5A)
CA  A 403 (-2.5A)
476  A 402 (-3.5A)
IPE  A 401 (-3.7A)
 0.59A 6g31H-4jzxA:
24.3		 6g31H-4jzxA:
14.01
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.
4p0v FARNESYL
PYROPHOSPHATE
SYNTHASE

(Homo sapiens) 		PF00348
(polyprenyl_synt) 		4 ASP A 103
ASP A 107
GLN A 171
GLN A 240
 MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 3.8A)
ZOL  A 401 (-3.5A)
 0.47A 6g31H-4p0vA:
25.0		 6g31H-4p0vA:
15.75
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.
4rl8 PROTEIN INVOLVED IN
META-PATHWAY OF
PHENOL
DEGRADATION-LIKE
PROTEIN

(Pseudomonas
putida) 		PF13557
(Phenol_MetA_deg) 		4 ASP A   4
ASP A   7
GLN A 241
GLN A  23
 None
C8E  A 303 (-3.8A)
None
None
 1.40A 6g31H-4rl8A:
undetectable		 6g31H-4rl8A:
14.80
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.
4rxe FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei) 		PF00348
(polyprenyl_synt) 		4 ASP A 103
ASP A 107
GLN A 172
GLN A 252
 MG  A3004 (-2.5A)
MG  A3004 (-2.3A)
MG  A3004 ( 3.8A)
3YQ  A3001 ( 4.2A)
 0.46A 6g31H-4rxeA:
24.6		 6g31H-4rxeA:
11.14
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.
5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei) 		PF00348
(polyprenyl_synt) 		4 ASP B 103
ASP B 107
GLN B 172
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.70A 6g31H-5ahuB:
22.6		 6g31H-5ahuB:
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.
5ahu FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei) 		PF00348
(polyprenyl_synt) 		4 ASP B 103
ASP B 107
GLN B 172
LYS B 278
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 ( 4.1A)
MG  B1369 (-3.6A)
 1.26A 6g31H-5ahuB:
22.6		 6g31H-5ahuB:
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.
5h07 POLYUBIQUITIN-C

(Homo sapiens) 		PF00240
(ubiquitin) 		4 ASP A 121
GLN A  31
GLN A  40
LYS A 129
 None
 1.38A 6g31H-5h07A:
undetectable		 6g31H-5h07A:
16.96
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.
5hn7 FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE

(Plasmodium
vivax) 		PF00348
(polyprenyl_synt) 		4 ASP A 126
ASP A 130
GLN A 195
GLN A 284
 04M  A 401 ( 4.0A)
None
04M  A 401 (-3.3A)
None
 0.73A 6g31H-5hn7A:
25.1		 6g31H-5hn7A:
13.10
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.
5iys PHYTOENE SYNTHASE

(Enterococcus
hirae) 		PF00494
(SQS_PSY) 		4 ASP A  56
ASP A  60
GLN A 113
GLN A 166
 MG  A 505 (-2.5A)
MG  A 504 (-2.5A)
MG  A 504 (-3.9A)
FPS  A 507 (-3.9A)
 0.63A 6g31H-5iysA:
11.5		 6g31H-5iysA:
14.88
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 ASP A  54
GLN A1101
GLN A1221
LYS A1096
 None
 0.98A 6g31H-5xblA:
undetectable		 6g31H-5xblA:
4.80
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.
6b07 FARNESYL DIPHOSPHATE
SYNTHASE

(Choristoneura
fumiferana) 		no annotation 4 ASP A 147
ASP A 151
GLN A 215
GLN A 284
 MG  A 402 (-2.6A)
MG  A 402 (-2.5A)
C6M  A 401 (-3.3A)
C6M  A 401 (-3.7A)
 0.45A 6g31H-6b07A:
25.4		 6g31H-6b07A:
24.14
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.
6b07 FARNESYL DIPHOSPHATE
SYNTHASE

(Choristoneura
fumiferana) 		no annotation 4 ASP A 147
ASP A 151
GLN A 215
LYS A 310
 MG  A 402 (-2.6A)
MG  A 402 (-2.5A)
C6M  A 401 (-3.3A)
MG  A 402 ( 4.3A)
 1.42A 6g31H-6b07A:
25.4		 6g31H-6b07A:
24.14