3RAS
Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate 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 | polymer | 398 | 41701.0 | 2 | UniProt (P64012) Pfam (PF02670) Pfam (PF08436) Pfam (PF13288) UniProt (by SIFTS) (P9WNS1) In PDB | Mycobacterium tuberculosis | DXP reductoisomerase, 1-deoxyxylulose-5-phosphate reductoisomerase, 2-C-methyl-D-erythritol 4-phosphate synthase |
2 | A, B | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
3 | A, B | 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID | non-polymer | 342.1 | 2 | Chemie (FM5) | |||
4 | A, B | [(1R)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid | non-polymer | 342.1 | 2 | Chemie (DCV) | |||
5 | A, B | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
6 | B | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
7 | water | water | 18.0 | 119 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 389 (UniProt: P64012)
PDB | External Database | Details |
---|---|---|
Thr -8 | - | expression tag |
Met -7 | - | expression tag |
Ala -6 | - | expression tag |
His -5 | - | expression tag |
His -4 | - | expression tag |
His -3 | - | expression tag |
His -2 | - | expression tag |
His -1 | - | expression tag |
His 0 | - | expression tag |
Val 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 83401.9 | |
Non-Polymers* | Number of molecules | 9 |
Total formula weight | 3065.2 | |
All* | Total formula weight | 86467.2 |