› 1xvt

X-ray diffraction
2.3Å resolution

Crystal Structure of Native CaiB in complex with coenzyme A

Released:
DOI: 10.2210/pdb1xvt/pdb
PDB entry 1xvt coloured by chain, front view.
PDB entry 1xvt coloured by chain, side view.
PDB entry 1xvt coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Crystal structure of Escherichia coli crotonobetainyl-CoA: carnitine CoA-transferase (CaiB) and its complexes with CoA and carnitinyl-CoA.
Rangarajan ES, Li Y, Iannuzzi P, Cygler M, Matte A
Biochemistry 44 5728-38 (2005)
PMID: 15823031

Function and Biology Details

Reaction catalysed: 
(E)-4-(trimethylammonio)but-2-enoyl-CoA + L-carnitine = (E)-4-(trimethylammonio)but-2-enoate + L-carnitinyl-CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152036 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
L-carnitine CoA-transferase Chain: A
Molecule details ›
Chain: A
Length: 408 amino acids
Theoretical weight: 46.25 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P31572 (Residues: 1-405; Coverage: 100%)
Gene names: JW0037, b0038, caiB, yaaN
Sequence domains: CoA-transferase family III
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand COA 1 x COA
1 modified residue:
Ligand MSE 17 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P41212
Unit cell:
a: 87.76Å b: 87.76Å c: 164.45Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.197 0.237
Expression system: Escherichia coli

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Citations

13 citation in other articles

Identifying the missing steps of the autotrophic 3-hydroxypropionate CO2 fixation cycle in Chloroflexus aurantiacus.
Zarzycki et al. (2009)
12 more