› 4rvn

X-ray diffraction
2.2Å resolution

Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution

Released:
DOI: 10.2210/pdb4rvn/pdb
PDB entry 4rvn coloured by chain, front view.
PDB entry 4rvn coloured by chain, side view.
PDB entry 4rvn coloured by chain, top view.
Source organism: Bacteroides thetaiotaomicron VPI-5482
Entry author: Joint Center for Structural Genomics (JCSG)

Function and Biology Details

Reaction catalysed: 
ATP + phenylacetate + CoA = AMP + diphosphate + phenylacetyl-CoA
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183794 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phenylacetate-coenzyme A ligase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 436 amino acids
Theoretical weight: 50.2 KDa
Source organism: Bacteroides thetaiotaomicron VPI-5482
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8AAN6 (Residues: 1-435; Coverage: 100%)
Gene name: BT_0428
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand COA 2 x COA
6 bound ligands:
Ligand ZN 4 x ZN
Ligand AMP 4 x AMP
Ligand K 6 x K
Ligand UNL 4 x UNL
Ligand SO4 5 x SO4
Ligand EDO 11 x EDO
1 modified residue:
Ligand MSE 60 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21212
Unit cell:
a: 127.78Å b: 211.3Å c: 71.98Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.192 0.219
Expression system: Escherichia coli

Quick links