SIMILAR PATTERNS OF AMINO ACIDS FOR 6G31_E_ZOLE401

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.
1g7c ELONGATION FACTOR
1-ALPHA

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 LEU A  63
ASP A  35
ASP A  74
ARG A  67
 None
 1.32A 6g31E-1g7cA:
undetectable		 6g31E-1g7cA:
11.43
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.
1rqj GERANYLTRANSTRANSFER
ASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 LEU A 102
ASP A 105
ASP A 111
ARG A 116
 None
MG  A 907 (-2.5A)
MG  A 909 (-2.4A)
RIS  A 901 (-2.7A)
 0.37A 6g31E-1rqjA:
18.7		 6g31E-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.
1vbl PECTATE LYASE 47

(Bacillus sp.
TS-47) 		PF00544
(Pec_lyase_C) 		4 LEU A 256
ASP A 233
ASP A 190
ARG A 285
 None
CA  A 417 (-3.6A)
CA  A 417 (-2.4A)
None
 1.35A 6g31E-1vblA:
undetectable		 6g31E-1vblA:
12.03
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 LEU A  77
ASP A  80
ASP A  84
ARG A  89
 None
MG  A 341 (-2.6A)
MG  A 341 (-3.0A)
MG  A 341 ( 4.6A)
 0.39A 6g31E-2dh4A:
27.6		 6g31E-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.
2o1o PUTATIVE FARNESYL
PYROPHOSPHATE
SYNTHASE

(Cryptosporidium
parvum) 		PF00348
(polyprenyl_synt) 		4 LEU A 112
ASP A 115
ASP A 119
ARG A 124
 None
MG  A 503 (-2.5A)
MG  A 502 (-2.4A)
RIS  A 400 (-2.9A)
 0.43A 6g31E-2o1oA:
15.8		 6g31E-2o1oA:
12.85
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 LEU A  61
ASP A  64
ASP A  68
ARG A  73
 None
GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
 0.44A 6g31E-2q80A:
31.8		 6g31E-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.
3aq0 GERANYL DIPHOSPHATE
SYNTHASE

(Arabidopsis
thaliana) 		PF00348
(polyprenyl_synt) 		4 LEU A 104
ASP A 107
ASP A 111
ARG A 116
 None
MG  A1000 (-2.9A)
MG  A1001 (-2.8A)
FPP  A1002 (-2.9A)
 0.43A 6g31E-3aq0A:
19.1		 6g31E-3aq0A:
13.17
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		4 LEU B  81
ASP B  84
ASP B  88
ARG B  93
 None
MG  B 326 (-2.6A)
MG  B 327 (-2.4A)
2DE  B 329 (-3.8A)
 0.46A 6g31E-3aqcB:
20.6		 6g31E-3aqcB:
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.
3p41 GERANYLTRANSTRANSFER
ASE

(Pseudomonas
protegens) 		PF00348
(polyprenyl_synt) 		4 LEU A  80
ASP A  83
ASP A  89
ARG A  94
 None
MG  A 297 (-2.5A)
MG  A 297 (-2.5A)
DMA  A 300 (-2.9A)
 0.32A 6g31E-3p41A:
9.6		 6g31E-3p41A:
13.01
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.
3q1o GERANYLTRANSTRANSFER
ASE (ISPA)

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		4 LEU A  89
ASP A  92
ASP A  98
ARG A 103
 DMA  A 501 ( 4.8A)
MG  A 400 ( 2.8A)
MG  A 400 ( 3.2A)
DMA  A 501 (-3.0A)
 0.47A 6g31E-3q1oA:
17.4		 6g31E-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.
3qqv GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		4 LEU A 105
ASP A 108
ASP A 112
ARG A 117
 None
MG  A 381 (-2.4A)
MG  A 381 (-2.8A)
DMA  A 384 (-3.0A)
 0.46A 6g31E-3qqvA:
21.1		 6g31E-3qqvA:
12.37
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.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 LEU A  81
ASP A  84
ASP A  88
ARG A  93
 None
IPE  A 401 (-2.6A)
IPE  A 401 (-3.3A)
IPE  A 401 ( 4.2A)
 0.49A 6g31E-3wjoA:
19.1		 6g31E-3wjoA:
12.76
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.
3zou FARNESYL
PYROPHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00348
(polyprenyl_synt) 		4 LEU A  80
ASP A  83
ASP A  89
ARG A  94
 None
MG  A1295 (-2.5A)
MG  A1295 (-2.4A)
GPP  A1297 (-3.0A)
 0.29A 6g31E-3zouA:
16.2		 6g31E-3zouA:
14.34
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.
3zsc PECTATE
TRISACCHARIDE-LYASE

(Thermotoga
maritima) 		PF00544
(Pec_lyase_C) 		4 LEU A 166
ASP A 143
ASP A 117
ARG A 197
 AQA  A1338 ( 4.8A)
None
None
AQA  A1338 (-3.2A)
 1.49A 6g31E-3zscA:
undetectable		 6g31E-3zscA:
12.73
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 LEU A 122
ASP A 119
ASP A 117
ARG A 145
 None
MG  A1664 ( 3.9A)
None
None
 1.27A 6g31E-4c30A:
undetectable		 6g31E-4c30A:
8.87
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 LEU A  95
ASP A  98
ASP A 102
ARG A 107
 None
MG  A 403 (-2.5A)
MG  A 403 (-2.4A)
0MW  A 404 (-2.7A)
 0.36A 6g31E-4e1eA:
19.3		 6g31E-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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		4 LEU A  82
ASP A  85
ASP A  89
ARG A  94
 None
 0.61A 6g31E-4gp1A:
20.0		 6g31E-4gp1A:
12.61
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.
4hwv PECTATE LYASE/AMB
ALLERGEN

(Acidovorax
citrulli) 		PF00544
(Pec_lyase_C) 		4 LEU A 319
ASP A 296
ASP A 241
ARG A 351
 None
CA  A 601 (-3.2A)
CA  A 601 (-2.0A)
None
 1.38A 6g31E-4hwvA:
undetectable		 6g31E-4hwvA:
8.98
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.
4jzx FARNESYL
PYROPHOSPHATE
SYNTHASE

(Leishmania
major) 		PF00348
(polyprenyl_synt) 		4 LEU A  95
ASP A  98
ASP A 102
ARG A 107
 None
CA  A 403 (-2.5A)
CA  A 403 (-2.5A)
476  A 402 (-2.9A)
 0.45A 6g31E-4jzxA:
19.3		 6g31E-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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		4 LEU A  83
ASP A  86
ASP A  92
ARG A  97
 None
 0.60A 6g31E-4kkmA:
16.9		 6g31E-4kkmA:
13.27
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.
4lfe GERANYLGERANYL
DIPHOSPHATE SYNTHASE

(Streptococcus
uberis) 		PF00348
(polyprenyl_synt) 		4 LEU A  75
ASP A  78
ASP A  84
ARG A  89
 IPE  A 301 (-4.7A)
MG  A 302 (-2.5A)
MG  A 302 (-2.4A)
IPE  A 301 (-2.8A)
 0.45A 6g31E-4lfeA:
17.4		 6g31E-4lfeA:
13.24
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		4 LEU A  77
ASP A  80
ASP A  86
ARG A  91
 None
CA  A 304 ( 2.9A)
CA  A 305 (-2.3A)
GST  A 302 (-2.9A)
 0.40A 6g31E-4llsA:
18.3		 6g31E-4llsA:
14.33
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 LEU A 100
ASP A 103
ASP A 107
ARG A 112
 None
MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
 0.36A 6g31E-4p0vA:
13.1		 6g31E-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.
4rxe FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
brucei) 		PF00348
(polyprenyl_synt) 		4 LEU A 100
ASP A 103
ASP A 107
ARG A 112
 3YQ  A3001 ( 4.6A)
MG  A3004 (-2.5A)
MG  A3004 (-2.3A)
3YQ  A3001 (-2.8A)
 0.66A 6g31E-4rxeA:
19.8		 6g31E-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.
4wia PUTATIVE
FLAGELLA-RELATED
PROTEIN H

(Methanocaldococcus
jannaschii) 		PF06745
(ATPase) 		4 LEU A  16
ASP A  17
ASP A  10
ARG A  46
 None
GOL  A 306 (-3.3A)
GOL  A 306 (-3.9A)
None
 1.31A 6g31E-4wiaA:
undetectable		 6g31E-4wiaA:
20.71
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 LEU B 100
ASP B 103
ASP B 107
ARG B 112
 None
MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
 0.33A 6g31E-5ahuB:
18.2		 6g31E-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.
5ayp FARNESYL DIPHOSPHATE
SYNTHASE

(Geobacillus
stearothermophilus) 		PF00348
(polyprenyl_synt) 		4 LEU A  83
ASP A  86
ASP A  92
ARG A  97
 None
 0.65A 6g31E-5aypA:
7.2		 6g31E-5aypA:
17.03
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.
5e8l HETERODIMERIC
GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE LARGE
SUBUNIT 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00348
(polyprenyl_synt) 		4 LEU A  88
ASP A  91
ASP A  97
ARG A 102
 None
 0.74A 6g31E-5e8lA:
15.8		 6g31E-5e8lA:
15.53
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 4 LEU A 248
ASP A 178
ASP A 152
ARG A 276
 None
 1.46A 6g31E-5gt5A:
undetectable		 6g31E-5gt5A:
10.77
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 LEU A 542
ASP A 391
ASP A 708
ARG A 545
 None
 1.37A 6g31E-5ldnA:
undetectable		 6g31E-5ldnA:
6.40