SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4j5i'

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.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ARG A 263
VAL A 264
SER A 108
ASN A 243
 None
 1.33A 1hwiC-4j5iA:
undetectable		 1hwiC-4j5iA:
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.
1HWI_D_115D3_2
(HMG-COA REDUCTASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ARG A 263
VAL A 264
SER A 108
ASN A 243
 None
 1.32A 1hwiD-4j5iA:
undetectable		 1hwiD-4j5iA:
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.
1T7J_A_478A200_2
(POL POLYPROTEIN)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 ASP A 273
VAL A 183
GLY A 190
THR A 127
 None
 0.84A 1t7jB-4j5iA:
undetectable		 1t7jB-4j5iA:
16.17
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 PHE A 203
GLY A 205
VAL A 182
LEU A 214
PHE A 218
 None
 1.05A 3ay0B-4j5iA:
undetectable		 3ay0B-4j5iA:
21.75
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.
3GWU_A_SREA801_1
(TRANSPORTER)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 141
LEU A 145
ALA A 147
PHE A 203
THR A 127
 None
 1.13A 3gwuA-4j5iA:
undetectable		 3gwuA-4j5iA:
19.34
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.
3M6V_A_SAMA465_0
(RRNA METHYLASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A 147
GLY A 205
VAL A 178
ARG A 280
PRO A 181
LEU A 195
 None
 1.24A 3m6vA-4j5iA:
undetectable		 3m6vA-4j5iA:
23.06
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.
3M6V_A_SAMA465_0
(RRNA METHYLASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A 147
GLY A 205
VAL A 178
ARG A 280
PRO A 181
LEU A 195
 None
 1.25A 3m6vA-4j5iA:
undetectable		 3m6vA-4j5iA:
23.06
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.
3M6V_B_SAMB465_0
(RRNA METHYLASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A 147
GLY A 205
VAL A 178
ARG A 280
PRO A 181
LEU A 195
 None
 1.24A 3m6vB-4j5iA:
undetectable		 3m6vB-4j5iA:
23.06
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.
3M6V_B_SAMB465_0
(RRNA METHYLASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A 147
GLY A 205
VAL A 178
ARG A 280
PRO A 181
LEU A 195
 None
 1.27A 3m6vB-4j5iA:
undetectable		 3m6vB-4j5iA:
23.06
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.
3M6W_A_SAMA465_0
(RRNA METHYLASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A 147
GLY A 205
VAL A 178
ARG A 280
PRO A 181
LEU A 195
 None
 1.20A 3m6wA-4j5iA:
undetectable		 3m6wA-4j5iA:
23.06
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.
3M6W_A_SAMA465_0
(RRNA METHYLASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 ALA A 147
GLY A 205
VAL A 178
ARG A 280
PRO A 181
LEU A 195
 None
 1.23A 3m6wA-4j5iA:
undetectable		 3m6wA-4j5iA:
23.06
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.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A 239
PHE A  45
LEU A   9
THR A 246
VAL A 229
 None
 1.02A 3rukA-4j5iA:
undetectable		 3rukA-4j5iA:
20.53
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.
3RUK_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ALA A 239
PHE A  45
LEU A   9
THR A 246
VAL A 229
 None
 0.99A 3rukB-4j5iA:
undetectable		 3rukB-4j5iA:
20.53
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.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 LEU A  39
ALA A 107
GLY A 268
PRO A 187
THR A 189
 None
 1.31A 3spkA-4j5iA:
undetectable		 3spkA-4j5iA:
16.50
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.
3ZOF_A_HQEA200_1
(FLAVOREDOXIN)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 TYR A 289
VAL A  98
ARG A 184
HIS A 180
 None
 1.42A 3zofA-4j5iA:
0.0		 3zofA-4j5iA:
19.78
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.
4J7X_J_SASJ804_1
(SEPIAPTERIN
REDUCTASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 141
PHE A 218
TYR A 131
PRO A 137
ASP A 220
 None
 1.08A 4j7xJ-4j5iA:
undetectable		 4j7xJ-4j5iA:
22.73
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.
4LHM_A_AZZA510_1
(THYMIDINE
PHOSPHORYLASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A  96
TYR A 289
VAL A 101
ILE A 104
LEU A 195
 None
 1.38A 4lhmA-4j5iA:
undetectable		 4lhmA-4j5iA:
22.90
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.
4LHM_A_AZZA510_1
(THYMIDINE
PHOSPHORYLASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 THR A  96
VAL A 101
ILE A 104
PHE A 199
LEU A 195
 None
 1.21A 4lhmA-4j5iA:
undetectable		 4lhmA-4j5iA:
22.90
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.
4QYQ_A_3CJA607_1
(LACTOPEROXIDASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLN A  49
HIS A  51
ARG A  21
 None
 0.92A 4qyqA-4j5iA:
undetectable		 4qyqA-4j5iA:
22.54
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.
4QYQ_B_3CJB607_1
(LACTOPEROXIDASE)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLN A  49
HIS A  51
ARG A  21
 None
 0.88A 4qyqB-4j5iA:
undetectable		 4qyqB-4j5iA:
22.54
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.
4WNW_B_RTZB602_2
(CYTOCHROME P450 2D6)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLU A 188
ILE A  44
ALA A 245
 None
 0.65A 4wnwB-4j5iA:
undetectable		 4wnwB-4j5iA:
21.68
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.
4WNW_B_RTZB602_2
(CYTOCHROME P450 2D6)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 GLU A 188
ILE A 240
ALA A 245
 None
 0.40A 4wnwB-4j5iA:
undetectable		 4wnwB-4j5iA:
21.68
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.
5LG3_A_Z80A401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 PHE A  45
ASP A 242
TRP A 124
ILE A 240
ALA A 239
 None
 1.08A 5lg3A-4j5iA:
undetectable		 5lg3A-4j5iA:
20.06
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.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 HIS A  95
ASP A  97
HIS A 248
ARG A 263
 FE  A 401 (-3.5A)
FE  A 401 (-2.9A)
FE  A 401 (-3.4A)
None
 0.60A 6dchA-4j5iA:
24.3		 6dchA-4j5iA:
25.91
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 GLN A 219
GLY A 197
HIS A  95
VAL A  98
 None
None
FE  A 401 (-3.5A)
None
 0.96A 6hu9S-4j5iA:
undetectable
6hu9q-4j5iA:
undetectable		 6hu9S-4j5iA:
14.53
6hu9q-4j5iA:
20.70