3WQQ
Crystal structure of PfDXR complexed with inhibitor-3
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) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast | polymer | 488 | 55829.6 | 2 | UniProt (O96693) Pfam (PF02670) Pfam (PF08436) Pfam (PF13288) | Plasmodium falciparum | 1-deoxyxylulose-5-phosphate reductoisomerase, DOXP reductoisomerase, DXP reductoisomerase |
| 2 | C, F (A, B) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 3 | D, G (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E, J (A, B) | [(1S)-4-[hydroxy(methyl)amino]-1-(4-methylphenyl)-4-oxobutyl]phosphonic acid | non-polymer | 287.2 | 2 | Chemie (IB3) | |||
| 5 | H, I (B) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 6 | K, L (A, B) | water | water | 18.0 | 181 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 111659.2 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2194.1 | |
| All* | Total formula weight | 113853.3 |
