SIMILAR PATTERNS OF AMINO ACIDS FOR 3GN0_B_DMOB552

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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		6 HIS A 146
ASP A 148
ASN A 150
HIS A 160
GLY A 161
THR A 249
 MN  A 351 (-3.3A)
MN  A 350 (-2.5A)
None
None
None
None
 0.58A 3gn0B-1gq7A:
32.5		 3gn0B-1gq7A:
27.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		5 HIS A 126
ASN A 130
SER A 136
ASP A 183
GLU A 186
 MN  A 500 ( 3.2A)
S2C  A 551 (-3.9A)
S2C  A 551 ( 3.7A)
S2C  A 551 (-2.8A)
S2C  A 551 ( 4.2A)
 1.14A 3gn0B-1p8rA:
56.0		 3gn0B-1p8rA:
87.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		9 HIS A 126
ASP A 128
ASN A 130
SER A 137
HIS A 141
GLY A 142
ASP A 183
GLU A 186
THR A 246
 MN  A 500 ( 3.2A)
MN  A 501 ( 2.6A)
S2C  A 551 (-3.9A)
S2C  A 551 (-3.3A)
S2C  A 551 (-3.7A)
S2C  A 551 ( 3.9A)
S2C  A 551 (-2.8A)
S2C  A 551 ( 4.2A)
S2C  A 551 ( 4.3A)
 0.44A 3gn0B-1p8rA:
56.0		 3gn0B-1p8rA:
87.42
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.
1tuu ACETATE KINASE

(Methanosarcina
thermophila) 		PF00871
(Acetate_kinase) 		5 HIS A 180
ASP A 148
HIS A 152
GLY A 181
GLU A 384
 SO4  A 400 (-3.9A)
None
None
None
None
 1.47A 3gn0B-1tuuA:
undetectable		 3gn0B-1tuuA:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		9 HIS A 124
ASP A 126
ASN A 128
SER A 135
HIS A 139
GLY A 140
ASP A 178
GLU A 181
THR A 240
 MN  A 302 ( 3.2A)
MN  A 301 ( 2.6A)
None
None
None
None
None
None
None
 0.32A 3gn0B-2cevA:
45.7		 3gn0B-2cevA:
41.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		8 HIS A 121
ASP A 123
ASN A 125
SER A 132
GLY A 137
ASP A 172
GLU A 175
THR A 232
 None
 0.50A 3gn0B-2ef4A:
41.7		 3gn0B-2ef4A:
39.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		8 HIS A 121
ASP A 123
ASN A 125
SER A 132
HIS A 136
GLY A 137
ASP A 172
GLU A 175
 None
 0.62A 3gn0B-2ef4A:
41.7		 3gn0B-2ef4A:
39.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		5 HIS A 121
ASP A 123
SER A 130
HIS A 136
GLY A 137
 None
 1.17A 3gn0B-2ef4A:
41.7		 3gn0B-2ef4A:
39.94
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		5 ASP A 463
GLY A 462
ASP A 435
GLU A 436
THR A 364
 None
 1.32A 3gn0B-3e1sA:
3.1		 3gn0B-3e1sA:
19.01
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.
3gbr ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sulfolobus
solfataricus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 HIS A 154
ASN A 109
HIS A 107
GLY A 108
THR A 180
 None
 1.23A 3gn0B-3gbrA:
2.4		 3gn0B-3gbrA:
25.59
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.
3imh GALACTOSE-1-EPIMERAS
E

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		5 ASP A 131
ASN A 133
GLY A 132
ASP A 129
THR A 166
 None
 1.33A 3gn0B-3imhA:
undetectable		 3gn0B-3imhA:
23.16
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		6 HIS A 154
ASP A 156
ASN A 158
HIS A 168
GLY A 169
THR A 257
 MN  A1602 (-3.3A)
MN  A1601 (-3.0A)
None
None
None
None
 0.58A 3gn0B-3nioA:
24.9		 3gn0B-3nioA:
26.83
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.
3nip 3-GUANIDINOPROPIONAS
E

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		6 HIS A 150
ASP A 152
ASN A 154
HIS A 165
GLY A 166
THR A 254
 None
 0.48A 3gn0B-3nipA:
30.6		 3gn0B-3nipA:
27.97
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.
3pzl AGMATINE
UREOHYDROLASE

(Thermoplasma
volcanium) 		PF00491
(Arginase) 		5 HIS A 146
ASP A 148
HIS A 160
GLU A 188
THR A 243
 MN  A 315 (-3.8A)
MN  A 314 (-2.3A)
None
None
None
 0.66A 3gn0B-3pzlA:
30.4		 3gn0B-3pzlA:
27.47
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		9 HIS A 218
ASP A 220
ASN A 222
SER A 229
HIS A 233
GLY A 234
ASP A 274
GLU A 277
THR A 337
 MN  A 412 ( 3.3A)
FB6  A 414 ( 2.6A)
FB6  A 414 (-4.0A)
FB6  A 414 (-2.6A)
FB6  A 414 (-3.5A)
FB6  A 414 (-3.6A)
FB6  A 414 (-2.9A)
FB6  A 414 ( 4.0A)
FB6  A 414 ( 4.2A)
 0.40A 3gn0B-3sl1A:
44.9		 3gn0B-3sl1A:
29.29
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		5 HIS A 321
ASP A 348
HIS A 350
ASP A 222
GLU A 247
 FMT  A 501 (-4.0A)
None
ACT  A 504 (-4.0A)
NA  A 502 (-2.9A)
NA  A 502 (-3.1A)
 1.35A 3gn0B-3vdgA:
undetectable		 3gn0B-3vdgA:
23.00
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.
3zyi LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF07679
(I-set)
PF13855
(LRR_8) 		5 HIS A  97
ASN A 120
HIS A  99
GLY A 121
ASP A  93
 None
 1.50A 3gn0B-3zyiA:
undetectable		 3gn0B-3zyiA:
21.72
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.
4aqt LAMININ SUBUNIT
GAMMA-1

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		5 HIS A 361
ASP A 323
GLY A 363
ASP A 341
THR A 359
 None
 1.37A 3gn0B-4aqtA:
undetectable		 3gn0B-4aqtA:
21.46
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.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 HIS A 161
ASP A 163
HIS A 175
GLY A 176
THR A 256
 MN  A 401 (-3.4A)
MN  A 402 (-2.5A)
UNK  A 407 ( 3.8A)
UNK  A 409 ( 3.4A)
UNK  A 408 ( 3.5A)
 0.25A 3gn0B-4dz4A:
30.3		 3gn0B-4dz4A:
28.13
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.
4fwm PROPIONATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		5 HIS A 175
ASP A 143
HIS A 147
GLY A 176
GLU A 381
 ATP  A 405 ( 3.7A)
EDO  A 401 (-4.2A)
None
None
None
 1.28A 3gn0B-4fwmA:
undetectable		 3gn0B-4fwmA:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		9 HIS A 126
ASP A 128
ASN A 130
SER A 137
HIS A 141
GLY A 142
ASP A 183
GLU A 186
THR A 246
 MN  A 902 ( 3.4A)
MN  A 903 ( 2.6A)
X8A  A 901 (-4.4A)
X8A  A 901 (-2.5A)
X8A  A 901 (-3.4A)
X8A  A 901 ( 3.7A)
X8A  A 901 (-3.0A)
X8A  A 901 ( 4.3A)
X8A  A 901 (-3.5A)
 0.19A 3gn0B-4hxqA:
58.0		 3gn0B-4hxqA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4iu4 ARGINASE

(Leishmania
mexicana) 		PF00491
(Arginase) 		9 HIS A 139
ASP A 141
ASN A 143
SER A 150
HIS A 154
GLY A 155
ASP A 194
GLU A 197
THR A 257
 MN  A 402 ( 3.4A)
MN  A 401 ( 2.5A)
S2C  A 405 (-3.8A)
S2C  A 405 (-2.5A)
S2C  A 405 (-3.2A)
S2C  A 405 ( 3.7A)
S2C  A 405 (-2.4A)
S2C  A 405 ( 4.2A)
S2C  A 405 (-3.4A)
 0.23A 3gn0B-4iu4A:
48.7		 3gn0B-4iu4A:
42.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		5 HIS A 145
ASN A 149
SER A 155
ASP A 202
GLU A 205
 MN  A 402 ( 3.3A)
38I  A 406 (-4.2A)
38I  A 406 ( 3.7A)
38I  A 406 (-3.1A)
38I  A 406 ( 4.0A)
 1.21A 3gn0B-4ixuA:
54.7		 3gn0B-4ixuA:
60.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		9 HIS A 145
ASP A 147
ASN A 149
SER A 156
HIS A 160
GLY A 161
ASP A 202
GLU A 205
THR A 265
 MN  A 402 ( 3.3A)
38I  A 406 ( 2.5A)
38I  A 406 (-4.2A)
38I  A 406 (-2.7A)
38I  A 406 (-3.5A)
38I  A 406 ( 3.7A)
38I  A 406 (-3.1A)
38I  A 406 ( 4.0A)
38I  A 406 (-3.7A)
 0.26A 3gn0B-4ixuA:
54.7		 3gn0B-4ixuA:
60.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		9 HIS A 156
ASP A 158
ASN A 160
SER A 167
HIS A 171
GLY A 172
ASP A 213
GLU A 216
THR A 276
 MN  A 402 ( 3.3A)
MN  A 401 ( 2.5A)
XA2  A 407 (-4.2A)
XA2  A 407 (-2.7A)
XA2  A 407 (-3.2A)
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.1A)
XA2  A 407 ( 4.3A)
XA2  A 407 (-3.6A)
 0.35A 3gn0B-4q3rA:
49.4		 3gn0B-4q3rA:
39.74
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.
5h7w VENOM
5'-NUCLEOTIDASE

(Naja atra) 		no annotation 5 HIS A 243
ASP A  85
ASN A  36
GLY A  84
THR A 178
 ZN  A 606 (-3.2A)
ZN  A 606 ( 2.7A)
None
None
None
 1.18A 3gn0B-5h7wA:
undetectable		 3gn0B-5h7wA:
21.70
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.
5wk4 VARIABLE LYMPHOCYTE
RECEPTOR 39

(Petromyzon
marinus) 		no annotation 5 HIS D 106
ASP D  82
ASN D  79
GLY D  81
THR D 130
 None
 1.41A 3gn0B-5wk4D:
undetectable		 3gn0B-5wk4D:
14.04