4BGI
Crystal structure of InhA(S94A) mutant in complex with OH-141
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... (A, B, C, D, E...) | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 281 | 30016.3 | 6 | UniProt (P9WGR1) Pfam (PF13561) | Mycobacterium tuberculosis | Enoyl-ACP reductase,FAS-II enoyl-ACP reductase,NADH-dependent 2-trans-enoyl-ACP reductase |
| 2 | G, H, L (A, B, F) | 3-hydroxy-N-[(2R,5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-3,7,12-trioxo-2-(propan-2-yl)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododecan-6-yl]pyridine-2-carboxamide | non-polymer | 528.6 | 3 | Chemie (I4I) | |||
| 3 | I, J, K (C, D, E) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 3 | Chemie (NAD) | |||
| 4 | M, N, O, P, Q... (A, B, C, D, E...) | water | water | 18.0 | 470 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F: 2 - 269 (UniProt: P9WGR1)
| PDB | External Database | Details |
|---|---|---|
| Met -3 | - | initiating methionine |
| Asp -2 | - | expression tag |
| Ile -1 | - | expression tag |
| Glu 0 | - | expression tag |
| Phe 1 | - | expression tag |
| Ala 94 | Ser 94 | engineered mutation |
| Gly 270 | - | expression tag |
| Ser 271 | - | expression tag |
| His 272 | - | expression tag |
| His 273 | - | expression tag |
| His 274 | - | expression tag |
| His 275 | - | expression tag |
| His 276 | - | expression tag |
| His 277 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 180097.9 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 3575.9 | |
| All* | Total formula weight | 183673.8 |
