7UM8
Crystal structure of E. Coli FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Enoyl-[acyl-carrier-protein] reductase [NADH] FabI | polymer | 266 | 28260.3 | 2 | UniProt (P0AEK4) Pfam (PF13561) | Escherichia coli str. K-12 substr. MG1655 | ENR,NADH-dependent enoyl-ACP reductase |
| 2 | C, E (A, B) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 2 | Chemie (NAD) | |||
| 3 | D, F (A, B) | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide | non-polymer | 404.5 | 2 | Chemie (NQF) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 518 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 262 (UniProt: P0AEK4)
| PDB | External Database | Details |
|---|---|---|
| Gly -3 | - | expression tag |
| Asp -2 | - | expression tag |
| His -1 | - | expression tag |
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 56520.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2135.8 | |
| All* | Total formula weight | 58656.3 |
