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... | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 281 | 30016.3 | 6 | UniProt (P9WGR1) Pfam (PF13561) In PDB | Mycobacterium tuberculosis | Enoyl-ACP reductase,FAS-II enoyl-ACP reductase,NADH-dependent 2-trans-enoyl-ACP reductase |
2 | 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 | C, D, E | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 3 | Chemie (NAD) | |||
4 | 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 |