› 6ari

X-ray diffraction
2Å resolution

Crystal structure of a dephospho-CoA kinase from Escherichia coli in complex with inhibitor CM078

Released:
DOI: 10.2210/pdb6ari/pdb
PDB entry 6ari coloured by chain, front view.
PDB entry 6ari coloured by chain, side view.
PDB entry 6ari coloured by chain, top view.
Source organism: Escherichia coli K-12
Entry author: Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Function and Biology Details

Reaction catalysed: 
ATP + 3'-dephospho-CoA = ADP + CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141363 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dephospho-CoA kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 214 amino acids
Theoretical weight: 23.62 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A6I9 (Residues: 1-206; Coverage: 100%)
Gene names: JW0100, b0103, coaE, yacE
Sequence domains: Dephospho-CoA kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

3 bound ligands:
Ligand CIT 2 x CIT
Ligand BQV 2 x BQV
Ligand EDO 8 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P3221
Unit cell:
a: 63.72Å b: 63.72Å c: 221.08Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.169 0.166 0.208
Expression system: Escherichia coli BL21(DE3)

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