SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5nji'

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.
1E06_B_IPBB600_0
(ODORANT-BINDING
PROTEIN)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		4 / 4 ILE A1175
MET A1122
VAL A1043
GLY A1173
 None
 1.24A 1e06B-5njiA:
undetectable		 1e06B-5njiA:
15.12
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.
2QD4_B_CHDB928_0
(FERROCHELATASE)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 949
LEU A 956
HIS A 928
PRO A1125
VAL A1126
 None
 1.25A 2qd4B-5njiA:
undetectable		 2qd4B-5njiA:
21.48
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.
3AQI_B_CHDB6_0
(FERROCHELATASE)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 949
LEU A 956
HIS A 928
PRO A1125
VAL A1126
 None
 1.29A 3aqiB-5njiA:
undetectable		 3aqiB-5njiA:
21.83
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.
3E22_B_LOCB700_2
(TUBULIN BETA-2B
CHAIN)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		5 / 11 LEU A1198
LEU A1132
ALA A1131
ALA A 973
VAL A1169
 None
8Z2  A1301 ( 3.8A)
None
None
None
 1.13A 3e22B-5njiA:
undetectable		 3e22B-5njiA:
21.19
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.
3E22_D_LOCD700_2
(TUBULIN BETA-2B
CHAIN)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		5 / 11 LEU A1198
LEU A1132
ALA A1131
ALA A 973
VAL A1169
 None
8Z2  A1301 ( 3.8A)
None
None
None
 1.12A 3e22D-5njiA:
undetectable		 3e22D-5njiA:
21.19
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.
3E4E_A_4PZA501_1
(CYTOCHROME P450 2E1)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A 979
THR A 983
CYH A1022
 None
 0.71A 3e4eA-5njiA:
undetectable		 3e4eA-5njiA:
19.10
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.
3E4E_B_4PZB501_1
(CYTOCHROME P450 2E1)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		3 / 3 ALA A 979
THR A 983
CYH A1022
 None
 0.65A 3e4eB-5njiA:
undetectable		 3e4eB-5njiA:
19.10
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		4 / 7 HIS A1086
MET A1214
LEU A 999
VAL A1196
 8Z2  A1301 ( 4.7A)
8Z2  A1301 ( 3.1A)
8Z2  A1301 (-3.8A)
None
 0.98A 3jwqC-5njiA:
undetectable		 3jwqC-5njiA:
22.52
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.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		3 / 3 ARG A1105
ASP A1200
GLN A1204
 None
 0.92A 4azsA-5njiA:
undetectable		 4azsA-5njiA:
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.
4J14_A_X2NA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		5 / 10 ALA A1187
LEU A1192
VAL A1161
ALA A1145
THR A1142
 None
None
8Z2  A1301 (-3.3A)
None
None
 0.94A 4j14A-5njiA:
undetectable		 4j14A-5njiA:
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.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		4 / 5 GLN A1133
THR A1142
LEU A1070
LEU A1096
 None
 0.82A 4lvcB-5njiA:
undetectable		 4lvcB-5njiA:
20.58
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.
4MK4_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5nji PHTHIOCEROL/PHENOLPH
THIOCEROL SYNTHESIS
POLYKETIDE SYNTHASE
TYPE I PPSC
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 949
LEU A 956
HIS A 928
PRO A1125
VAL A1126
 None
 1.39A 4mk4B-5njiA:
undetectable		 4mk4B-5njiA:
21.48