4R9S
Mycobacterium tuberculosis InhA bound to NITD-916
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
A | 0005504 | molecular_function | fatty acid binding |
A | 0005886 | cellular_component | plasma membrane |
A | 0006629 | biological_process | lipid metabolic process |
A | 0006631 | biological_process | fatty acid metabolic process |
A | 0006633 | biological_process | fatty acid biosynthetic process |
A | 0009274 | cellular_component | peptidoglycan-based cell wall |
A | 0016491 | molecular_function | oxidoreductase activity |
A | 0030497 | biological_process | fatty acid elongation |
A | 0046677 | biological_process | response to antibiotic |
A | 0050343 | molecular_function | trans-2-enoyl-CoA reductase (NADH) activity |
A | 0070403 | molecular_function | NAD+ binding |
A | 0071768 | biological_process | mycolic acid biosynthetic process |
C | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
C | 0005504 | molecular_function | fatty acid binding |
C | 0005886 | cellular_component | plasma membrane |
C | 0006629 | biological_process | lipid metabolic process |
C | 0006631 | biological_process | fatty acid metabolic process |
C | 0006633 | biological_process | fatty acid biosynthetic process |
C | 0009274 | cellular_component | peptidoglycan-based cell wall |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0030497 | biological_process | fatty acid elongation |
C | 0046677 | biological_process | response to antibiotic |
C | 0050343 | molecular_function | trans-2-enoyl-CoA reductase (NADH) activity |
C | 0070403 | molecular_function | NAD+ binding |
C | 0071768 | biological_process | mycolic acid biosynthetic process |
E | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
E | 0005504 | molecular_function | fatty acid binding |
E | 0005886 | cellular_component | plasma membrane |
E | 0006629 | biological_process | lipid metabolic process |
E | 0006631 | biological_process | fatty acid metabolic process |
E | 0006633 | biological_process | fatty acid biosynthetic process |
E | 0009274 | cellular_component | peptidoglycan-based cell wall |
E | 0016491 | molecular_function | oxidoreductase activity |
E | 0030497 | biological_process | fatty acid elongation |
E | 0046677 | biological_process | response to antibiotic |
E | 0050343 | molecular_function | trans-2-enoyl-CoA reductase (NADH) activity |
E | 0070403 | molecular_function | NAD+ binding |
E | 0071768 | biological_process | mycolic acid biosynthetic process |
G | 0004318 | molecular_function | enoyl-[acyl-carrier-protein] reductase (NADH) activity |
G | 0005504 | molecular_function | fatty acid binding |
G | 0005886 | cellular_component | plasma membrane |
G | 0006629 | biological_process | lipid metabolic process |
G | 0006631 | biological_process | fatty acid metabolic process |
G | 0006633 | biological_process | fatty acid biosynthetic process |
G | 0009274 | cellular_component | peptidoglycan-based cell wall |
G | 0016491 | molecular_function | oxidoreductase activity |
G | 0030497 | biological_process | fatty acid elongation |
G | 0046677 | biological_process | response to antibiotic |
G | 0050343 | molecular_function | trans-2-enoyl-CoA reductase (NADH) activity |
G | 0070403 | molecular_function | NAD+ binding |
G | 0071768 | biological_process | mycolic acid biosynthetic process |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE NAD A 301 |
Chain | Residue |
A | GLY14 |
A | SER94 |
A | ILE95 |
A | GLY96 |
A | ILE122 |
A | MET147 |
A | ASP148 |
A | MET161 |
A | LYS165 |
A | ALA191 |
A | PRO193 |
A | ILE15 |
A | ILE194 |
A | THR196 |
A | 3KY302 |
A | ILE16 |
A | SER20 |
A | ILE21 |
A | PHE41 |
A | LEU63 |
A | ASP64 |
A | VAL65 |
site_id | AC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE 3KY A 302 |
Chain | Residue |
A | GLY96 |
A | PHE149 |
A | TYR158 |
A | MET161 |
A | MET199 |
A | ILE215 |
A | NAD301 |
site_id | AC3 |
Number of Residues | 21 |
Details | BINDING SITE FOR RESIDUE NAD C 301 |
Chain | Residue |
C | GLY14 |
C | ILE15 |
C | ILE16 |
C | SER20 |
C | ILE21 |
C | PHE41 |
C | LEU63 |
C | ASP64 |
C | VAL65 |
C | SER94 |
C | ILE95 |
C | GLY96 |
C | ILE122 |
C | MET147 |
C | ASP148 |
C | LYS165 |
C | ALA191 |
C | PRO193 |
C | ILE194 |
C | THR196 |
C | 3KY302 |
site_id | AC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE 3KY C 302 |
Chain | Residue |
C | GLY96 |
C | PHE149 |
C | TYR158 |
C | MET199 |
C | LEU218 |
C | NAD301 |
site_id | AC5 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE NAD E 301 |
Chain | Residue |
E | GLY14 |
E | ILE16 |
E | SER20 |
E | ILE21 |
E | PHE41 |
E | LEU63 |
E | ASP64 |
E | VAL65 |
E | SER94 |
E | ILE95 |
E | GLY96 |
E | ILE122 |
E | MET147 |
E | ASP148 |
E | MET161 |
E | LYS165 |
E | ALA191 |
E | GLY192 |
E | PRO193 |
E | ILE194 |
E | THR196 |
E | 3KY302 |
site_id | AC6 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE 3KY E 302 |
Chain | Residue |
E | GLY96 |
E | PHE149 |
E | TYR158 |
E | MET199 |
E | ILE215 |
E | LEU218 |
E | NAD301 |
site_id | AC7 |
Number of Residues | 22 |
Details | BINDING SITE FOR RESIDUE NAD G 301 |
Chain | Residue |
G | LYS165 |
G | ALA191 |
G | GLY192 |
G | PRO193 |
G | ILE194 |
G | THR196 |
G | 3KY302 |
G | HOH404 |
G | GLY14 |
G | ILE15 |
G | ILE16 |
G | SER20 |
G | ILE21 |
G | PHE41 |
G | LEU63 |
G | ASP64 |
G | VAL65 |
G | SER94 |
G | ILE95 |
G | GLY96 |
G | MET147 |
G | ASP148 |
site_id | AC8 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE 3KY G 302 |
Chain | Residue |
G | GLY96 |
G | PHE149 |
G | TYR158 |
G | PRO193 |
G | ILE215 |
G | LEU218 |
G | NAD301 |
G | HOH404 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 20 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10336454, ECO:0000269|PubMed:16647717, ECO:0000269|PubMed:7886450, ECO:0007744|PDB:1BVR, ECO:0007744|PDB:1ENY, ECO:0007744|PDB:2AQ8 |
Chain | Residue | Details |
A | SER20 | |
C | ILE194 | |
E | SER20 | |
E | ASP64 | |
E | ILE95 | |
E | LYS165 | |
E | ILE194 | |
G | SER20 | |
G | ASP64 | |
G | ILE95 | |
G | LYS165 | |
A | ASP64 | |
G | ILE194 | |
A | ILE95 | |
A | LYS165 | |
A | ILE194 | |
C | SER20 | |
C | ASP64 | |
C | ILE95 | |
C | LYS165 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10336454 |
Chain | Residue | Details |
A | TYR158 | |
C | TYR158 | |
E | TYR158 | |
G | TYR158 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | SITE: May act as an intermediate that passes the hydride ion from NADH to the substrate => ECO:0000305|PubMed:10336454 |
Chain | Residue | Details |
A | PHE149 | |
C | PHE149 | |
E | PHE149 | |
G | PHE149 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | SITE: Transition state stabilizer => ECO:0000305|PubMed:10521269 |
Chain | Residue | Details |
A | TYR158 | |
C | TYR158 | |
E | TYR158 | |
G | TYR158 |
site_id | SWS_FT_FI5 |
Number of Residues | 4 |
Details | MOD_RES: Phosphothreonine => ECO:0000269|PubMed:20864541, ECO:0000269|PubMed:21143326 |
Chain | Residue | Details |
A | THR266 | |
C | THR266 | |
E | THR266 | |
G | THR266 |