4COD
Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA
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 | 28554.8 | 4 | UniProt (P0A5Y6) Pfam (PF13561) UniProt (by SIFTS) (P9WGR1) | MYCOBACTERIUM TUBERCULOSIS | NADH-DEPENDENT ENOYL-ACP REDUCTASE, ENOYL-ACYL CARRIER PROT EIN REDUCTASE |
| 2 | E, G, J, K (B, D, F, H) | N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide | non-polymer | 437.5 | 4 | Chemie (KV1) | |||
| 3 | F, H, I, 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 | 384 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 114219.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 4403.7 | |
| All* | Total formula weight | 118622.8 |
