SIMILAR PATTERNS OF AMINO ACIDS FOR 6G31_B_ZOLB401

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		4 ASP A 584
ARG A 621
GLN A 539
GLN A 536
 None
 1.32A 6g31B-1b0kA:
undetectable		 6g31B-1b0kA:
7.71
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.
1rqj GERANYLTRANSTRANSFER
ASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		5 ASP A 105
ASP A 111
ARG A 116
GLN A 179
GLN A 241
 MG  A 907 (-2.5A)
MG  A 909 (-2.4A)
RIS  A 901 (-2.7A)
RIS  A 901 (-3.2A)
RIS  A 901 ( 3.6A)
 0.71A 6g31B-1rqjA:
24.5		 6g31B-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.
1wmw GERANYLGERANYL
DIPHOSPHATE
SYNTHETASE

(Thermus
thermophilus) 		PF00348
(polyprenyl_synt) 		4 ASP A  83
ARG A  88
GLN A 146
GLN A 209
 None
 0.90A 6g31B-1wmwA:
28.0		 6g31B-1wmwA:
11.91
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) 		5 ASP A  80
ASP A  84
ARG A  89
GLN A 147
GLN A 211
 MG  A 341 (-2.6A)
MG  A 341 (-3.0A)
MG  A 341 ( 4.6A)
None
None
 0.59A 6g31B-2dh4A:
34.7		 6g31B-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) 		5 ASP A 115
ASP A 119
ARG A 124
GLN A 184
GLN A 251
 MG  A 503 (-2.5A)
MG  A 502 (-2.4A)
RIS  A 400 (-2.9A)
RIS  A 400 ( 3.5A)
RIS  A 400 (-3.1A)
 0.83A 6g31B-2o1oA:
24.5		 6g31B-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) 		5 ASP A  64
ASP A  68
ARG A  73
GLN A 126
GLN A 185
 GRG  A 500 (-2.4A)
MG  A 400 (-2.6A)
GRG  A 500 (-2.9A)
GRG  A 500 ( 3.5A)
GRG  A 500 (-3.2A)
 0.71A 6g31B-2q80A:
42.3		 6g31B-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.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 ASP A 591
ARG A 588
GLN A 594
GLN A 576
 None
 1.37A 6g31B-3k1dA:
undetectable		 6g31B-3k1dA:
7.76
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.
3lom GERANYLTRANSTRANSFER
ASE

(Legionella
pneumophila) 		PF00348
(polyprenyl_synt) 		4 ASP A 100
ARG A 105
GLN A 168
GLN A 231
 None
 0.91A 6g31B-3lomA:
23.7		 6g31B-3lomA:
13.29
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.
3m0g FARNESYL DIPHOSPHATE
SYNTHASE

(Rhodobacter
capsulatus) 		PF00348
(polyprenyl_synt) 		4 ASP A  87
ARG A  92
GLN A 153
GLN A 213
 None
 0.99A 6g31B-3m0gA:
21.5		 6g31B-3m0gA:
13.67
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.
3p41 GERANYLTRANSTRANSFER
ASE

(Pseudomonas
protegens) 		PF00348
(polyprenyl_synt) 		4 ASP A  83
ASP A  89
ARG A  94
GLN A 157
 MG  A 297 (-2.5A)
MG  A 297 (-2.5A)
DMA  A 300 (-2.9A)
DMA  A 300 (-3.6A)
 0.82A 6g31B-3p41A:
21.7		 6g31B-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) 		5 ASP A  92
ASP A  98
ARG A 103
GLN A 163
GLN A 225
 MG  A 400 ( 2.8A)
MG  A 400 ( 3.2A)
DMA  A 501 (-3.0A)
DMA  A 501 (-3.6A)
DMA  A 501 ( 3.8A)
 0.81A 6g31B-3q1oA:
23.3		 6g31B-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 ASP A 108
ASP A 112
ARG A 117
GLN A 254
 MG  A 381 (-2.4A)
MG  A 381 (-2.8A)
DMA  A 384 (-3.0A)
DMA  A 383 (-3.2A)
 0.85A 6g31B-3qqvA:
10.6		 6g31B-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.
3s4y THIAMIN
PYROPHOSPHOKINASE 1

(Homo sapiens) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 ASP A  71
ASP A  73
GLN A  96
GLN A 134
 CA  A1303 ( 2.8A)
TPP  A1301 (-2.5A)
TPP  A1301 (-3.9A)
TPP  A1301 ( 3.6A)
 1.26A 6g31B-3s4yA:
undetectable		 6g31B-3s4yA:
17.14
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.
3zou FARNESYL
PYROPHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00348
(polyprenyl_synt) 		4 ASP A  83
ASP A  89
ARG A  94
GLN A 157
 MG  A1295 (-2.5A)
MG  A1295 (-2.4A)
GPP  A1297 (-3.0A)
GPP  A1297 (-3.7A)
 0.47A 6g31B-3zouA:
21.5		 6g31B-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.
4e1e FARNESYL
PYROPHOSPHATE
SYNTHASE

(Trypanosoma
cruzi) 		PF00348
(polyprenyl_synt) 		5 ASP A  98
ASP A 102
ARG A 107
GLN A 167
GLN A 247
 MG  A 403 (-2.5A)
MG  A 403 (-2.4A)
0MW  A 404 (-2.7A)
0MW  A 404 (-3.7A)
0MW  A 404 ( 3.8A)
 0.71A 6g31B-4e1eA:
25.4		 6g31B-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) 		5 ASP A  86
ASP A  90
ARG A  95
GLN A 147
GLN A 199
 UNX  A 302 ( 2.6A)
UNX  A 302 ( 3.2A)
UNX  A 302 ( 4.6A)
GER  A 301 ( 4.7A)
None
 0.93A 6g31B-4fp4A:
18.7		 6g31B-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) 		5 ASP A  98
ASP A 102
ARG A 107
GLN A 167
GLN A 247
 CA  A 403 (-2.5A)
CA  A 403 (-2.5A)
476  A 402 (-2.9A)
476  A 402 (-3.5A)
IPE  A 401 (-3.7A)
 0.83A 6g31B-4jzxA:
25.2		 6g31B-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 ASP A  86
ASP A  92
ARG A  97
GLN A 159
 None
 0.96A 6g31B-4kkmA:
22.5		 6g31B-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 ASP A  78
ASP A  84
ARG A  89
GLN A 149
 MG  A 302 (-2.5A)
MG  A 302 (-2.4A)
IPE  A 301 (-2.8A)
IPE  A 301 ( 3.7A)
 0.88A 6g31B-4lfeA:
23.5		 6g31B-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) 		5 ASP A  80
ASP A  86
ARG A  91
GLN A 153
GLN A 213
 CA  A 304 ( 2.9A)
CA  A 305 (-2.3A)
GST  A 302 (-2.9A)
GST  A 302 (-3.7A)
IPE  A 301 ( 4.1A)
 0.91A 6g31B-4llsA:
23.8		 6g31B-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.
4mee DIFFUSE ADHERENCE
ADHESIN

(Escherichia
coli) 		PF03797
(Autotransporter) 		4 ASP A 984
ARG A1008
GLN A1160
GLN A1267
 None
 1.24A 6g31B-4meeA:
undetectable		 6g31B-4meeA:
11.74
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) 		5 ASP A 103
ASP A 107
ARG A 112
GLN A 171
GLN A 240
 MG  A 405 (-2.5A)
MG  A 405 (-2.4A)
ZOL  A 401 ( 2.7A)
ZOL  A 401 ( 3.8A)
ZOL  A 401 (-3.5A)
 0.73A 6g31B-4p0vA:
26.2		 6g31B-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.
4pmn TAT-SECRETED PROTEIN
RV2525C

(Mycobacterium
tuberculosis) 		PF08924
(DUF1906) 		4 ASP A 227
ASP A  43
GLN A 213
GLN A 101
 MES  A 301 (-3.6A)
MES  A 301 ( 4.2A)
MES  A 301 (-2.9A)
MES  A 301 (-3.3A)
 1.31A 6g31B-4pmnA:
undetectable		 6g31B-4pmnA:
15.74
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 6g31B-4rl8A:
undetectable		 6g31B-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) 		5 ASP A 103
ASP A 107
ARG A 112
GLN A 172
GLN A 252
 MG  A3004 (-2.5A)
MG  A3004 (-2.3A)
3YQ  A3001 (-2.8A)
MG  A3004 ( 3.8A)
3YQ  A3001 ( 4.2A)
 0.66A 6g31B-4rxeA:
25.8		 6g31B-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.
4x81 MYCINAMICIN III
3''-O-METHYLTRANSFER
ASE

(Micromonospora
griseorubida) 		PF05711
(TylF) 		4 ASP A 216
ASP A 217
ARG A 187
GLN A 246
 MG  A 304 ( 2.9A)
MG  A 304 ( 2.6A)
None
MVI  A 305 (-3.3A)
 1.46A 6g31B-4x81A:
undetectable		 6g31B-4x81A:
21.36
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) 		5 ASP B 103
ASP B 107
ARG B 112
GLN B 172
GLN B 252
 MG  B1370 (-2.5A)
MG  B1369 (-2.2A)
G76  B1368 (-2.8A)
G76  B1368 ( 4.1A)
G76  B1368 ( 4.0A)
 0.76A 6g31B-5ahuB:
23.0		 6g31B-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 ASP A  86
ASP A  92
ARG A  97
GLN A 160
 None
 0.81A 6g31B-5aypA:
20.1		 6g31B-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.
5hn7 FARNESYL
PYROPHOSPHATE
SYNTHASE, PUTATIVE

(Plasmodium
vivax) 		PF00348
(polyprenyl_synt) 		5 ASP A 126
ASP A 130
ARG A 135
GLN A 195
GLN A 284
 04M  A 401 ( 4.0A)
None
04M  A 401 (-3.5A)
04M  A 401 (-3.3A)
None
 0.81A 6g31B-5hn7A:
26.0		 6g31B-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)
 0.56A 6g31B-5iysA:
11.4		 6g31B-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.
6b07 FARNESYL DIPHOSPHATE
SYNTHASE

(Choristoneura
fumiferana) 		no annotation 5 ASP A 147
ASP A 151
ARG A 156
GLN A 215
GLN A 284
 MG  A 402 (-2.6A)
MG  A 402 (-2.5A)
C6M  A 401 (-2.7A)
C6M  A 401 (-3.3A)
C6M  A 401 (-3.7A)
 0.62A 6g31B-6b07A:
26.4		 6g31B-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.
6f79 -

(-) 		no annotation 4 ASP A 260
ASP A 263
ARG A 147
GLN A 211
 0X9  A 407 (-4.3A)
None
0X9  A 407 (-2.9A)
0X9  A 407 (-3.0A)
 1.39A 6g31B-6f79A:
undetectable		 6g31B-6f79A:
undetectable