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

PDB ID: 4QTO
Gene source organism: Staphylococcus aureus subsp. aureus COL
Expression organism: Escherichia coli BL21(DE3) Deposition date: 2014-07-08
Classification: OXIDOREDUCTASE
Keywords: BetB, structural genomics, NAD, NIAID, National Institute of Allergy and Infectious Diseases, CSGID, Rossmann fold, Center for Structural Genomics of Infectious Diseases, OXIDOREDUCTASE
Technique: X-RAY DIFFRACTION
Assembly: 1
Resolution: 1.65
R-value: 0.1359
Metal site idBound amino acidsBound ligands IDs
4QTO-NA-1 G1K1V1 GLY A.463 HOH A.652 HOH B.613 LYS A.460 VAL B.249
4QTO-NA-2 G1K1V1 GLY B.463 HOH A.621 HOH B.663 LYS B.460 VAL A.249
4QTO-NA-3 G1K1V1 GLY C.463 HOH C.661 HOH D.665 LYS C.460 VAL D.249
4QTO-NA-4 G1K1V1 GLY D.463 HOH C.699 HOH D.697 LYS D.460 VAL C.249