4GAE
Crystal structure of plasmodium dxr in complex with a pyridine-containing inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast | polymer | 426 | 48538.8 | 2 | UniProt (O96693) Pfam (PF02670) Pfam (PF08436) Pfam (PF13288) In PDB | Plasmodium falciparum | 1-deoxyxylulose-5-phosphate reductoisomerase, DOXP reductoisomerase, DXP reductoisomerase |
2 | A, B | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
3 | A, B | [(1R)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | non-polymer | 274.2 | 2 | Chemie (FOB) | |||
4 | A, B | [(1S)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid | non-polymer | 274.2 | 2 | Chemie (FOQ) | |||
5 | A, B | MANGANESE (II) ION | non-polymer | 54.9 | 4 | Chemie (MN) | |||
6 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
7 | A, B | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
8 | A, B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
9 | water | water | 18.0 | 138 | Chemie (HOH) |
Sequence modifications
A, B: 75 - 488 (UniProt: O96693)
PDB | External Database | Details |
---|---|---|
Met 63 | - | expression tag |
Arg 64 | - | expression tag |
Gly 65 | - | expression tag |
Ser 66 | - | expression tag |
His 67 | - | expression tag |
His 68 | - | expression tag |
His 69 | - | expression tag |
His 70 | - | expression tag |
His 71 | - | expression tag |
His 72 | - | expression tag |
Gly 73 | - | expression tag |
Ser 74 | - | expression tag |
Ile 247 | Leu 247 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 97077.7 | |
Non-Polymers* | Number of molecules | 16 |
Total formula weight | 3147.2 | |
All* | Total formula weight | 100224.9 |