6SQD
Crystal structure of M. tuberculosis InhA in complex with NAD+ and 2-pyrazol-1-ylbenzoic acid
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 | 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 |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 34 |
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 | PHE149 |
A | LYS165 |
A | ALA191 |
A | GLY192 |
A | ILE15 |
A | PRO193 |
A | ILE194 |
A | THR196 |
A | LT8302 |
A | HOH406 |
A | HOH416 |
A | HOH435 |
A | HOH454 |
A | HOH479 |
A | HOH484 |
A | ILE16 |
A | HOH496 |
A | HOH504 |
A | HOH509 |
A | HOH521 |
A | HOH531 |
A | SER20 |
A | ILE21 |
A | PHE41 |
A | LEU63 |
A | ASP64 |
A | VAL65 |
site_id | AC2 |
Number of Residues | 7 |
Details | binding site for residue LT8 A 302 |
Chain | Residue |
A | MET103 |
A | PHE149 |
A | TYR158 |
A | MET199 |
A | ILE202 |
A | NAD301 |
A | HOH508 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 5 |
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 | |
A | ASP64 | |
A | ILE95 | |
A | LYS165 | |
A | ILE194 |
site_id | SWS_FT_FI2 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10336454 |
Chain | Residue | Details |
A | TYR158 |
site_id | SWS_FT_FI3 |
Number of Residues | 1 |
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 |
site_id | SWS_FT_FI4 |
Number of Residues | 1 |
Details | SITE: Transition state stabilizer => ECO:0000305|PubMed:10521269 |
Chain | Residue | Details |
A | TYR158 |
site_id | SWS_FT_FI5 |
Number of Residues | 1 |
Details | MOD_RES: Phosphothreonine => ECO:0000269|PubMed:20864541, ECO:0000269|PubMed:21143326 |
Chain | Residue | Details |
A | THR266 |