› 8w0m

X-ray diffraction
3.1Å resolution

Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a Acetyl Sulfamate AMP ester inhibitor

Released:
DOI: 10.2210/pdb8w0m/pdb
PDB entry 8w0m coloured by chain, front view.
PDB entry 8w0m coloured by chain, side view.
PDB entry 8w0m coloured by chain, top view.
Source organism: Candida albicans
Entry authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Function and Biology Details

Reaction catalysed: 
ATP + acetate + CoA = AMP + diphosphate + acetyl-CoA
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-185578 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetyl-coenzyme A synthetase 2 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 686 amino acids
Theoretical weight: 75.91 KDa
Source organism: Candida albicans
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8NJN3 (Residues: 2-671; Coverage: 100%)
Gene names: ACS2, CAALFM_C104290CA, CaO19.1064, CaO19.8666
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand 7RM 3 x 7RM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 101.399Å b: 115.398Å c: 106.265Å
α: 90° β: 116.4° γ: 90°
R-values:
R R work R free
0.19 0.188 0.23
Expression system: Escherichia coli BL21(DE3)

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