5JNL
Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC54 and manganese
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, apicoplastic | polymer | 422 | 48164.5 | 2 | UniProt (Q8IKG4) Pfam (PF02670) Pfam (PF08436) Pfam (PF13288) | Plasmodium falciparum (isolate 3D7) | DXP reductoisomerase |
| 2 | C, J (A, B) | {(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid | non-polymer | 383.3 | 2 | Chemie (L54) | |||
| 3 | D, K (A, B) | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
| 4 | E, F, L, M (A, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 5 | G, H, I, N, O... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 9 | Chemie (EDO) | |||
| 6 | T, U (A, B) | water | water | 18.0 | 508 | Chemie (HOH) |
Sequence modifications
A, B: 75 - 488 (UniProt: Q8IKG4)
| PDB | External Database | Details |
|---|---|---|
| Met 67 | - | initiating methionine |
| Ala 68 | - | expression tag |
| His 69 | - | expression tag |
| His 70 | - | expression tag |
| His 71 | - | expression tag |
| His 72 | - | expression tag |
| His 73 | - | expression tag |
| His 74 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 96329.0 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 1803.5 | |
| All* | Total formula weight | 98132.4 |
