SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1jqb'

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.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		3 / 3 PHE A1045
LEU A1012
LEU A1057
 None
 0.67A 1mx1E-1jqbA:
undetectable		 1mx1E-1jqbA:
20.00
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.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		3 / 3 PHE A1045
LEU A1012
LEU A1334
 None
 0.65A 1mx1E-1jqbA:
undetectable		 1mx1E-1jqbA:
20.00
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.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 9 LEU A1305
GLY A1185
ALA A1184
LEU A1319
LEU A1316
 None
 0.94A 1nr6A-1jqbA:
undetectable		 1nr6A-1jqbA:
23.58
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.
1RI4_A_SAMA299_0
(MRNA CAPPING ENZYME)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 12 GLY A1158
GLY A1182
ILE A1164
ALA A1186
SER A1263
 None
 1.05A 1ri4A-1jqbA:
6.9		 1ri4A-1jqbA:
22.37
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.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 12 ALA A1191
ILE A1194
ILE A1164
PHE A1156
ILE A1265
 None
 1.03A 1xozA-1jqbA:
undetectable		 1xozA-1jqbA:
21.65
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.
2PIW_A_T3A932_1
(ANDROGEN RECEPTOR)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		4 / 6 LEU A1249
VAL A1253
LYS A1254
ILE A1262
 None
 0.88A 2piwA-1jqbA:
undetectable		 2piwA-1jqbA:
20.33
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.
2QMM_A_SAMA301_0
(UPF0217 PROTEIN
AF_1056)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 9 LEU A1180
ILE A1175
GLY A1174
GLY A1243
CYH A1203
 None
 0.81A 2qmmA-1jqbA:
2.5		 2qmmA-1jqbA:
21.32
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.
2QMM_B_SAMB301_0
(UPF0217 PROTEIN
AF_1056)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 11 LEU A1180
ILE A1175
GLY A1174
GLY A1243
CYH A1203
 None
 0.85A 2qmmA-1jqbA:
2.4
2qmmB-1jqbA:
undetectable		 2qmmA-1jqbA:
21.32
2qmmB-1jqbA:
21.32
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		3 / 3 ARG A1299
GLY A1298
SER A1092
 None
 0.61A 2xctB-1jqbA:
2.4		 2xctB-1jqbA:
20.40
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.
3KU1_A_SAMA226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 12 GLY A1182
GLY A1158
ALA A1177
GLY A1176
ILE A1265
 None
 0.92A 3ku1A-1jqbA:
4.1		 3ku1A-1jqbA:
23.25
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.
3KU1_C_SAMC226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 12 GLY A1182
GLY A1158
ALA A1177
GLY A1176
ILE A1265
 None
 0.95A 3ku1C-1jqbA:
4.1		 3ku1C-1jqbA:
23.25
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.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		4 / 8 ILE A1164
ALA A1184
VAL A1172
VAL A1170
 None
 0.83A 3me6B-1jqbA:
0.0		 3me6B-1jqbA:
20.79
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.
3S53_A_017A201_1
(PROTEASE)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 9 GLY A1211
ALA A1212
ASP A1214
GLY A1192
ILE A1240
 None
 0.95A 3s53A-1jqbA:
undetectable		 3s53A-1jqbA:
16.52
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		4 / 6 PRO A1296
VAL A1095
THR A1087
THR A1086
 None
 1.09A 3tneA-1jqbA:
undetectable		 3tneA-1jqbA:
22.68
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.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 6 GLY A1260
VAL A1256
PRO A1258
GLY A1282
GLU A1280
 None
 1.23A 4dxuA-1jqbA:
undetectable		 4dxuA-1jqbA:
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.
4FOR_A_FLPA711_1
(LACTOTRANSFERRIN)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		4 / 7 GLY A1260
VAL A1256
PRO A1258
GLY A1282
 None
 0.72A 4forA-1jqbA:
undetectable		 4forA-1jqbA:
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.
4RDX_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		4 / 7 THR A1248
TYR A1218
GLY A1174
GLY A1243
 None
 0.88A 4rdxA-1jqbA:
2.6		 4rdxA-1jqbA:
22.82
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.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 12 ARG A1301
LEU A1305
VAL A1314
VAL A1178
GLY A1158
 None
 1.21A 5i8fA-1jqbA:
0.0		 5i8fA-1jqbA:
19.61
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		3 / 3 GLY A1244
GLY A1245
GLN A1251
 None
 0.33A 5imsA-1jqbA:
2.4		 5imsA-1jqbA:
22.31
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.
5JGL_A_SAMA301_1
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		3 / 3 GLY A1023
ASP A1026
ASN A1132
 None
 0.47A 5jglA-1jqbA:
8.4		 5jglA-1jqbA:
22.13
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.
5YSI_A_NCAA1001_0
(UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		4 / 6 GLY A1058
SER A1039
THR A1043
TRP A1110
 None
ZN  A1353 ( 3.7A)
None
None
 1.10A 5ysiA-1jqbA:
0.0		 5ysiA-1jqbA:
20.37
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE
(Clostridium
beijerinckii) 		5 / 12 MET A1140
ALA A1134
LEU A1136
VAL A1323
THR A1149
 None
 1.15A 6djzC-1jqbA:
0.0		 6djzC-1jqbA:
22.90