Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg, NADPH and inhibitor.

Summary for 6VO2

DescriptorKetol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, 3-(methylsulfonyl)-2-oxopropanoic acid, ... (5 entities in total)
Functional Keywordsreductoisomerase, inhibitor, complex, metal binding protein
Biological sourceStaphylococcus aureus
Total number of polymer chains2
Total molecular weight76035.91
Bayaraa, T.,Patel, K.M.,Guddat, L.W. (deposition date: 2020-01-29, release date: 2020-04-08, Last modification date: 2020-08-05)
Primary citation
Bayaraa, T.,Kurz, J.L.,Patel, K.M.,Hussein, W.M.,Bilyj, J.K.,West, N.P.,Schenk, G.,McGeary, R.P.,Guddat, L.W.
Discovery, Synthesis and Evaluation of a Ketol-Acid Reductoisomerase Inhibitor.
Chemistry, 26:8958-8968, 2020
PubMed: 32198779 (PDB entries with the same primary citation)
DOI: 10.1002/chem.202000899
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.20040 0.7% 0.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-09-23