› 8g0u

X-ray diffraction
1.9Å resolution

Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99

Released:
DOI: 10.2210/pdb8g0u/pdb
PDB entry 8g0u coloured by chain, front view.
PDB entry 8g0u coloured by chain, side view.
PDB entry 8g0u coloured by chain, top view.
Source organism: Cryptococcus neoformans
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:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-125412 (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
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: J9VFT1 (Residues: 2-680; Coverage: 100%)
Gene name: CNAG_00797
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand EDO 6 x EDO
Ligand YHQ 3 x YHQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 71.879Å b: 183.779Å c: 84.076Å
α: 90° β: 92.98° γ: 90°
R-values:
R R work R free
0.175 0.174 0.204
Expression system: Escherichia coli BL21(DE3)

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