28IX
structure of InhA from Mycobacterium tuberculosis in complex with (E)-2-(4-(4-((4-butyl-1H-1,2,3-triazol-1-yl)methyl)-2-hydroxyphenoxy)-3-fluorobenzylidene)hydrazine-1-carbothioamide (compound 6f)
This is a non-PDB format compatible entry.
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 | 272 | 28837.1 | 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, H, K, M (A, B, C, D) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 4 | Chemie (NAD) | |||
| 3 | F, I, L, N (A, B, C, D) | (E)-2-(4-(4-((4-butyl-1H-1,2,3-triazol-1-yl)methyl)-2-hydroxyphenoxy)-3-fluorobenzylidene)hydrazine-1-carbothioamide | non-polymer | 442.5 | 4 | Chemie (A1JY5) | |||
| 4 | G, J (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) PubChem (8117) | |||
| 5 | O (D) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 6 | P, Q, R, S (A, B, C, D) | water | water | 18.0 | 598 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 115348.2 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 4659.0 | |
| All* | Total formula weight | 120007.2 |
