8OTL
structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 272 | 28837.1 | 6 | UniProt (P9WGR1) Pfam (PF13561) In PDB | Mycobacterium tuberculosis | ENR,Enoyl-ACP reductase,FAS-II enoyl-ACP reductase,NADH-dependent 2-trans-enoyl-ACP reductase |
| 2 | A, B, C, D, E... | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 6 | Chemie (NAD) | |||
| 3 | C, E | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 4 | C, E | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 5 | F | 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol | non-polymer | 525.7 | 1 | Chemie (VZE) | |||
| 6 | water | water | 18.0 | 496 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F: 1 - 269 (UniProt: P9WGR1)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 173022.3 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 4748.5 | |
| All* | Total formula weight | 177770.8 |
