› 5vpv

X-ray diffraction
2.6Å resolution

Crystal structure of Apo Cryptococcus neoformans H99 Acetyl-CoA Synthetase with an Acetylated Active Site Lysine

Released:
DOI: 10.2210/pdb5vpv/pdb
PDB entry 5vpv coloured by chain, front view.
PDB entry 5vpv coloured by chain, side view.
PDB entry 5vpv coloured by chain, top view.
Source organism: Cryptococcus neoformans var. grubii H99
Entry authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III D, Davies DR, Calhoun B

Function and Biology Details

Reaction catalysed: 
ATP + acetate + CoA = AMP + diphosphate + acetyl-CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-125411 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetyl-coenzyme A synthetase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 694 amino acids
Theoretical weight: 77.52 KDa
Source organism: Cryptococcus neoformans var. grubii H99
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: J9VFT1 (Residues: 2-680; Coverage: 100%)
Gene name: CNAG_00797
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand GOL 8 x GOL
Ligand PO4 3 x PO4
1 modified residue:
Ligand ALY 3 x ALY

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P41212
Unit cell:
a: 176.98Å b: 176.98Å c: 159.92Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.156 0.216
Expression system: Escherichia coli BL21(DE3)

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