1.65 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-modified Cys289 and PEG molecule in active site

Summary for 4QTO

Related4MPB 4MPY 4NEA 4Q92 4NU9 4QJE 4QN2
DescriptorBetaine aldehyde dehydrogenase, SODIUM ION, TRIETHYLENE GLYCOL, ... (8 entities in total)
Functional Keywordsbetb, structural genomics, nad, niaid, national institute of allergy and infectious diseases, csgid, rossmann fold, center for structural genomics of infectious diseases, oxidoreductase
Biological sourceStaphylococcus aureus subsp. aureus COL
Total number of polymer chains4
Total molecular weight231998.45
Halavaty, A.S.,Minasov, G.,Dubrovska, I.,Winsor, J.,Shuvalova, L.,Anderson, W.F.,Center for Structural Genomics of Infectious Diseases (CSGID) (deposition date: 2014-07-08, release date: 2014-07-16, Last modification date: 2017-11-22)
Primary citation
Halavaty, A.S.,Rich, R.L.,Chen, C.,Joo, J.C.,Minasov, G.,Dubrovska, I.,Winsor, J.R.,Myszka, D.G.,Duban, M.,Shuvalova, L.,Yakunin, A.F.,Anderson, W.F.
Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.
Acta Crystallogr.,Sect.D, 71:1159-1175, 2015
PubMed: 25945581 (PDB entries with the same primary citation)
DOI: 10.1107/S1399004715004228
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.16850.2%1.0%2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload