Crystal structure of type 2 PDF from Streptococcus agalactiae in complex with inhibitor AT018

Summary for 5JF3

DescriptorPeptide deformylase, methyl 4-({5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl}methyl)benzoate, ACETATE ION, ... (6 entities in total)
Functional Keywordspdf, type 2, nme, n-terminal methionine excision, streptococcus agalactiae, inhibitor, at018, hydrolase
Biological sourceStreptococcus agalactiae
Total number of polymer chains1
Total molecular weight23972.5
Fieulaine, S.,Giglione, C.,Meinnel, T. (deposition date: 2016-04-19, release date: 2016-11-30, Last modification date: 2017-09-06)
Primary citation
Fieulaine, S.,Alves de Sousa, R.,Maigre, L.,Hamiche, K.,Alimi, M.,Bolla, J.M.,Taleb, A.,Denis, A.,Pages, J.M.,Artaud, I.,Meinnel, T.,Giglione, C.
A unique peptide deformylase platform to rationally design and challenge novel active compounds.
Sci Rep, 6:35429-35429, 2016
PubMed: 27762275 (PDB entries with the same primary citation)
DOI: 10.1038/srep35429
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.22510 0.6% 3.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21