8OTM
structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide
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 (A, B, C, D) | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 271 | 28698.9 | 4 | UniProt (P9WGR1) Pfam (PF13561) | Mycobacterium tuberculosis | ENR,Enoyl-ACP reductase,FAS-II enoyl-ACP reductase,NADH-dependent 2-trans-enoyl-ACP reductase |
| 2 | E, J, N, R (A, B, C, D) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 4 | Chemie (NAD) | |||
| 3 | F, K, O, S (A, B, C, D) | 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide | non-polymer | 468.5 | 4 | Chemie (VZI) | |||
| 4 | G, H, L (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 5 | I, M, Q, T, U (A, B, C, D) | SODIUM ION | non-polymer | 23.0 | 5 | Chemie (NA) | |||
| 6 | P (C) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 7 | V, W, X, Y (A, B, C, D) | water | water | 18.0 | 1088 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 269 (UniProt: P9WGR1)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 114795.6 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 4887.7 | |
| All* | Total formula weight | 119683.4 |
