› 2if2

X-ray diffraction
3Å resolution

Crystal Structure of the Putative Dephospho-CoA Kinase from Aquifex aeolicus, Northeast Structural Genomics Target QR72.

Released:
DOI: 10.2210/pdb2if2/pdb
PDB entry 2if2 coloured by chain, front view.
PDB entry 2if2 coloured by chain, side view.
PDB entry 2if2 coloured by chain, top view.
Source organism: Aquifex aeolicus VF5
Entry authors: Forouhar F, Hussain M, Seetharaman J, Hussain A, Wu M, Fang Y, Cunningham K, Ma LC, Xiao R, Liu J, Baran M, Rost B, Acton TB, Montelione GT, Hunt JF, Tong L, Northeast Structural Genomics Consortium (NESG)

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-130559 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Dephospho-CoA kinase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 204 amino acids
Theoretical weight: 24.23 KDa
Source organism: Aquifex aeolicus VF5
Expression system: Escherichia coli
UniProt:
  • Canonical: O67792 (Residues: 1-196; Coverage: 100%)
Gene names: aq_1985, coaE
Sequence domains: Dephospho-CoA kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand EDO 1 x EDO
1 modified residue:
Ligand MSE 12 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P212121
Unit cell:
a: 71.632Å b: 97.013Å c: 121.625Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.239 0.235 0.284
Expression system: Escherichia coli

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