Crystal structure of Francisella tularensis HPPK-DHPS in complex with bisubstrate analog HPPK inhibitor J1D

Summary for 4PZV

Descriptor2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase, 5'-{[2-({N-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]glycyl}amino)ethyl]sulfonyl}-5'-deoxyadenosine, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywordsferredoxin-like fold; tim barrel fold, transferase, atp binding, phosphorylation
Biological sourceFrancisella tularensis subsp. tularensis
Total number of polymer chains1
Total molecular weight49382.92
Shaw, G.X.,Shi, G.,Ji, X. (deposition date: 2014-03-31, release date: 2014-07-16, Last modification date: 2014-10-01)
Primary citation
Shaw, G.X.,Li, Y.,Shi, G.,Wu, Y.,Cherry, S.,Needle, D.,Zhang, D.,Tropea, J.E.,Waugh, D.S.,Yan, H.,Ji, X.
Structural enzymology and inhibition of the bi-functional folate pathway enzyme HPPK-DHPS from the biowarfare agent Francisella tularensis.
Febs J., 281:4123-4137, 2014
PubMed: 24975935 (PDB entries with the same primary citation)
DOI: 10.1111/febs.12896
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.2581003.5%3.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-08-12