› 5k85

X-ray diffraction
2.3Å resolution

Crystal Structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate and Coenzyme A from Cryptococcus neoformans H99

Released:
DOI: 10.2210/pdb5k85/pdb
PDB entry 5k85 coloured by chain, front view.
PDB entry 5k85 coloured by chain, side view.
PDB entry 5k85 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, SSGCID

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


Cofactor: Ligand COA 1 x COA
3 bound ligands:
Ligand PRX 3 x PRX
Ligand EDO 10 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: P21
Unit cell:
a: 72.8Å b: 186.09Å c: 85.32Å
α: 90° β: 93.8° γ: 90°
R-values:
R R work R free
0.179 0.179 0.217
Expression system: Escherichia coli BL21(DE3)

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