5OIT
InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
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 (B, D, F, H) | Enoyl-[acyl-carrier-protein] reductase [NADH] | polymer | 269 | 28524.8 | 4 | UniProt (P9WGR1) Pfam (PF13561) | Mycobacterium tuberculosis | Enoyl-ACP reductase,FAS-II enoyl-ACP reductase,NADH-dependent 2-trans-enoyl-ACP reductase |
| 2 | E, G, I, K (B, D, F, H) | 5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine | non-polymer | 418.9 | 4 | Chemie (9WH) | |||
| 3 | F, H, J, L (B, D, F, H) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 4 | Chemie (NAD) | |||
| 4 | M, N, O, P (B, D, F, H) | water | water | 18.0 | 450 | Chemie (HOH) |
Sequence modifications
B, D, F, H: 1 - 269 (UniProt: P9WGR1)
| PDB | External Database | Details |
|---|---|---|
| Ala 2 | Thr 2 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 114099.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 4329.2 | |
| All* | Total formula weight | 118428.2 |
