› 5ez4

X-ray diffraction
2.11Å resolution

2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289

Released:
DOI: 10.2210/pdb5ez4/pdb
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PDB entry 5ez4 coloured by chain, front view.
PDB entry 5ez4 coloured by chain, side view.
PDB entry 5ez4 coloured by chain, top view.
Source organism: Staphylococcus aureus
Entry authors: Halavaty AS, Minasov G, Chen C, Joo JC, Yakunin AF, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
Betaine aldehyde + NAD(+) + H(2)O = betaine + NADH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192204 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Betaine-aldehyde dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 517 amino acids
Theoretical weight: 57.18 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9L4P8 (Residues: 1-496; Coverage: 100%)
Gene names: ACR79_09765, BN1321_420114, CNH36_14630, EIH03_03695, EP54_00140, EQ90_02725, GAY54_00470, GO814_09315, GO942_11615, GZ164_07010, LB359_07270, NCTC7972_02018, betB, gbsA
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
3 bound ligands:
Ligand NA 4 x NA
Ligand PGE 5 x PGE
Ligand EPE 5 x EPE
1 modified residue:
Ligand CME 4 x CME

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: C2
Unit cell:
a: 225.026Å b: 102.158Å c: 118.33Å
α: 90° β: 104.85° γ: 90°
R-values:
R R work R free
0.143 0.141 0.175
Expression system: Escherichia coli BL21(DE3)

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