Brand  (β version)

PDB ID: 3RAS

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Ligands
Code Name Style Show Link
DCV [(1r)-3-[acetyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid PoSSuM
FM5 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid PoSSuM
MN Manganese (II) ion PoSSuM
NDP Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3RAS   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/oxidoreductase inhibitor
Title : Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate inhibitor
Release Data : 2011-05-25
Compound :
mol_id molecule chains synonym
1 1-deoxy-D-xylulose 5-phosphate reductoisomerase A,B DXP reductoisomerase, 1-deoxyxylulose-5-phosphate reductoisomerase, 2-C-methyl-D-erythritol 4-phosphate synthase
ec: 1.1.1.267
fragment: unp residues 2-389
Source :
mol_id organism_scientific expression_system
1 Mycobacterium tuberculosis  (taxid:1773) Escherichia coli  (taxid:562)
gene: dxr, Rv2870c, MT2938, MTCY274.01c
Authors : Diao, J., Deng, L., Prasad, B.V.V., Song, Y.
Keywords : OXIDOREDUCTASE, DOXP/MEP PATHWAY, ISOPRENE BIOSYNTHESIS, 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE, OXIDOREDUCTASE-oxidoreductase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.55 Å )
Citation :

Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies.

Deng, L.,Diao, J.,Chen, P.  et al.
(2011)  J.Med.Chem.  54 : 4721 - 4734

PubMed: 21561155
DOI: 10.1021/jm200363d

Reaction

Chain : A, B
UniProt : P64012
Reaction : -