3RAS

Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with a lipophilic phosphonate inhibitor

Summary for 3RAS

Entry DOI	10.2210/pdb3ras/pdb
Related	2JCV 2JCZ
Descriptor	1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID, ... (7 entities in total)
Functional Keywords	oxidoreductase, doxp/mep pathway, isoprene biosynthesis, 1-deoxy-d-xylulose 5-phosphate reductoisomerase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Mycobacterium tuberculosis
Total number of polymer chains	2
Total formula weight	86467.18
Authors	Diao, J.,Deng, L.,Prasad, B.V.V.,Song, Y. (deposition date: 2011-03-28, release date: 2011-05-25, Last modification date: 2024-02-21)
Primary citation	Deng, L.,Diao, J.,Chen, P.,Pujari, V.,Yao, Y.,Cheng, G.,Crick, D.C.,Prasad, B.V.,Song, Y. Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies. J.Med.Chem., 54:4721-4734, 2011 Cited by PubMed: 21561155 DOI: 10.1021/jm200363d PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.55 Å)

Structure validation