› 5k8f

X-ray diffraction
2.45Å resolution

Crystal structure of Acetyl-CoA Synthetase in complex with ATP and Acetyl-AMP from Cryptococcus neoformans H99

Released:
DOI: 10.2210/pdb5k8f/pdb
PDB entry 5k8f coloured by chain, front view.
PDB entry 5k8f coloured by chain, side view.
PDB entry 5k8f 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, Delker SL, Potts KT, Lorimer DD, Edwards TE, Mutz MW

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: 77.48 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

5 bound ligands:
Ligand ATP 3 x ATP
Ligand 6R9 3 x 6R9
Ligand MG 4 x MG
Ligand EDO 9 x EDO
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P1
Unit cell:
a: 71.37Å b: 83.92Å c: 101.57Å
α: 110.06° β: 105.24° γ: 87.65°
R-values:
R R work R free
0.189 0.188 0.224
Expression system: Escherichia coli BL21(DE3)

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