SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3rq0'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1OM5_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 VAL A 184
TRP A 156
TRP A 138
GLU A 155
 None
211  A 280 ( 4.7A)
GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
 1.15A 1om5A-3rq0A:
undetectable
1om5B-3rq0A:
undetectable		 1om5A-3rq0A:
20.78
1om5B-3rq0A:
20.78
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.
1RS6_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TRP A 138
GLU A 155
VAL A 184
TRP A 156
 GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
None
211  A 280 ( 4.7A)
 1.04A 1rs6A-3rq0A:
undetectable
1rs6B-3rq0A:
undetectable		 1rs6A-3rq0A:
20.78
1rs6B-3rq0A:
20.78
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.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A  81
VAL A 236
TRP A 138
GLU A  64
 None
None
GOL  A 278 (-3.7A)
PG4  A 270 (-3.4A)
 1.28A 1s3zA-3rq0A:
undetectable
1s3zB-3rq0A:
undetectable		 1s3zA-3rq0A:
19.55
1s3zB-3rq0A:
19.55
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.
1U72_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A 126
LEU A 237
PHE A  44
SER A 114
VAL A 265
 None
 1.30A 1u72A-3rq0A:
undetectable		 1u72A-3rq0A:
20.82
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.
2G6H_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 VAL A 184
TRP A 156
TRP A 138
GLU A 155
 None
211  A 280 ( 4.7A)
GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
 1.14A 2g6hA-3rq0A:
undetectable
2g6hB-3rq0A:
undetectable		 2g6hA-3rq0A:
20.87
2g6hB-3rq0A:
20.87
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.
2Q6K_A_ADNA699_1
(CHLORINASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ASP A 257
TYR A 254
PRO A 255
THR A 253
 None
 1.33A 2q6kA-3rq0A:
undetectable		 2q6kA-3rq0A:
23.38
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.
2VOU_C_ACTC1391_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		3 / 3 PRO A 225
GLY A 149
TYR A 231
 None
 0.72A 2vouC-3rq0A:
undetectable		 2vouC-3rq0A:
24.50
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 4 LEU A 143
GLN A 194
THR A 193
THR A 232
 None
 1.42A 2zj0D-3rq0A:
undetectable		 2zj0D-3rq0A:
21.37
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.
3B3P_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TRP A 138
GLU A 155
VAL A 184
TRP A 156
 GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
None
211  A 280 ( 4.7A)
 0.98A 3b3pA-3rq0A:
undetectable
3b3pB-3rq0A:
undetectable		 3b3pA-3rq0A:
20.78
3b3pB-3rq0A:
20.78
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.
3H9U_A_ADNA439_1
(ADENOSYLHOMOCYSTEINA
SE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 10 LEU A 143
GLN A 194
THR A 193
GLY A 121
HIS A 122
 None
 1.35A 3h9uA-3rq0A:
undetectable		 3h9uA-3rq0A:
22.05
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.
3H9U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 10 LEU A 143
GLN A 194
THR A 193
GLY A 121
HIS A 122
 None
 1.32A 3h9uC-3rq0A:
undetectable		 3h9uC-3rq0A:
22.05
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.
3H9U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 10 LEU A 143
GLN A 194
THR A 193
GLY A 121
HIS A 122
 None
 1.31A 3h9uD-3rq0A:
undetectable		 3h9uD-3rq0A:
22.05
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.
3L8L_A_DVAA8_0
(GRAMICIDIN D)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 4 VAL A 265
TRP A 262
VAL A 263
TRP A 266
 None
GOL  A 276 (-4.1A)
None
PEG  A 268 (-3.8A)
 1.46A 3l8lA-3rq0A:
undetectable
3l8lB-3rq0A:
undetectable		 3l8lA-3rq0A:
5.00
3l8lB-3rq0A:
5.00
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.
4G24_A_ACAA1004_1
(PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ASN A 238
LEU A 237
VAL A 236
GLU A 155
 GOL  A 278 ( 4.1A)
None
None
GOL  A 278 (-3.4A)
 0.98A 4g24A-3rq0A:
undetectable		 4g24A-3rq0A:
19.96
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.
4UCH_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TRP A 138
GLU A 155
VAL A 184
TRP A 156
 GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
None
211  A 280 ( 4.7A)
 1.08A 4uchA-3rq0A:
undetectable
4uchB-3rq0A:
undetectable		 4uchA-3rq0A:
21.26
4uchB-3rq0A:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XDQ_A_BEZA306_0
(GLYCOSIDE HYDROLASE
FAMILY PROTEIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ARG A 127
ASP A 261
TRP A 262
 GOL  A 275 ( 3.6A)
GOL  A 276 ( 3.2A)
GOL  A 276 (-4.1A)
 0.16A 4xdqA-3rq0A:
37.5		 4xdqA-3rq0A:
50.90
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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 158
TYR A 157
SER A 244
ALA A 137
TYR A 254
 211  A 280 (-3.5A)
PG4  A 274 ( 4.7A)
PG4  A 273 ( 4.6A)
None
None
 1.06A 4ymgB-3rq0A:
undetectable		 4ymgB-3rq0A:
24.01
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.
5B6I_A_ADNA302_1
(FLUORINASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ASP A 257
TYR A 254
PRO A 255
THR A 253
 None
 1.32A 5b6iA-3rq0A:
undetectable		 5b6iA-3rq0A:
20.77
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.
5N4T_B_BEZB306_0
(BETA-LACTAMASE VIM-2)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		3 / 3 HIS A 180
ASN A 181
ALA A 183
 None
 0.78A 5n4tB-3rq0A:
undetectable		 5n4tB-3rq0A:
23.51
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.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLU A 155
TRP A 162
HIS A 169
 GOL  A 278 (-3.4A)
PG4  A 274 ( 4.0A)
PG4  A 274 (-3.9A)
 1.09A 5xipA-3rq0A:
undetectable		 5xipA-3rq0A:
19.96
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 7 GLY A 251
GLY A 252
GLY A 136
GLY A 246
GLY A 158
 None
None
None
None
211  A 280 (-3.5A)
 0.98A 6ag0A-3rq0A:
undetectable		 6ag0A-3rq0A:
13.21
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.
6AUU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		4 / 7 VAL A 184
TRP A 156
TRP A 138
GLU A 155
 None
211  A 280 ( 4.7A)
GOL  A 278 (-3.7A)
GOL  A 278 (-3.4A)
 1.08A 6auuA-3rq0A:
undetectable
6auuB-3rq0A:
undetectable		 6auuA-3rq0A:
15.44
6auuB-3rq0A:
15.44
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.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 174
SER A 220
VAL A 216
VAL A 168
ASP A 152
 PG4  A 274 ( 4.5A)
None
None
None
GOL  A 278 (-3.8A)
 1.20A 6bxlB-3rq0A:
undetectable		 6bxlB-3rq0A:
21.25