4IGE
Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 7-(4-Chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one
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 reductase | polymer | 345 | 39269.3 | 2 | UniProt (C6KSZ2) Pfam (PF13561) | Plasmodium falciparum | |
| 2 | C, G (A, B) | 7-(4-chloro-2-hydroxyphenoxy)-4-methyl-2H-chromen-2-one | non-polymer | 302.7 | 2 | Chemie (CHJ) | |||
| 3 | D, H (A, B) | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 2 | Chemie (NAD) | |||
| 4 | E, F, K, L (A, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 5 | I, J (B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 6 | M, N (A, B) | water | water | 18.0 | 276 | Chemie (HOH) |
Sequence modifications
A, B: 96 - 432 (UniProt: C6KSZ2)
| PDB | External Database | Details |
|---|---|---|
| Met 88 | - | expression tag |
| Val 89 | - | expression tag |
| His 90 | - | expression tag |
| His 91 | - | expression tag |
| His 92 | - | expression tag |
| His 93 | - | expression tag |
| His 94 | - | expression tag |
| His 95 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 78538.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 2492.8 | |
| All* | Total formula weight | 81031.3 |
