› 5ifi

X-ray diffraction
1.95Å resolution

CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE FROM CRYPTOCOCCUS NEOFORMANS H99

Released:
DOI: 10.2210/pdb5ifi/pdb
PDB entry 5ifi coloured by chain, front view.
PDB entry 5ifi coloured by chain, side view.
PDB entry 5ifi coloured by chain, top view.
Source organism: Cryptococcus neoformans var. grubii H99
Entry authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID), SSGCID, Fox III D, Edwards TE, Lorimer DD, 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

3 bound ligands:
Ligand PRX 3 x PRX
Ligand EDO 18 x EDO
Ligand PO4 4 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21
Unit cell:
a: 72.46Å b: 185.55Å c: 84.89Å
α: 90° β: 93.67° γ: 90°
R-values:
R R work R free
0.186 0.185 0.213
Expression system: Escherichia coli BL21(DE3)

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