4IGF
Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-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 | Enoyl-acyl carrier reductase | polymer | 345 | 39269.3 | 2 | UniProt (C6KSZ2) Pfam (PF13561) In PDB | Plasmodium falciparum | |
2 | A, B | 3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one | non-polymer | 304.7 | 2 | Chemie (CHV) | |||
3 | A, B | NICOTINAMIDE-ADENINE-DINUCLEOTIDE | non-polymer | 663.4 | 2 | Chemie (NAD) | |||
4 | A, B | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
5 | B | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
6 | water | water | 18.0 | 243 | 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 | 9 |
Total formula weight | 2404.6 | |
All* | Total formula weight | 80943.1 |