› 3b6r

X-ray diffraction
2Å resolution

Crystal structure of Human Brain-type Creatine Kinase

Released:
DOI: 10.2210/pdb3b6r/pdb
PDB entry 3b6r coloured by chain, front view.
PDB entry 3b6r coloured by chain, side view.
PDB entry 3b6r coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural studies of human brain-type creatine kinase complexed with the ADP-Mg2+-NO3- -creatine transition-state analogue complex.
Bong SM, Moon JH, Nam KH, Lee KS, Chi YM, Hwang KY
FEBS Lett 582 3959-65 (2008)
PMID: 18977227

Function and Biology Details

Reaction catalysed: 
ATP + creatine = ADP + phosphocreatine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146122 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Creatine kinase B-type Chains: A, B
Molecule details ›
Chains: A, B
Length: 381 amino acids
Theoretical weight: 42.7 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P12277 (Residues: 1-381; Coverage: 100%)
Gene names: CKB, CKBB
Sequence domains:
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand ACT 2 x ACT
Ligand MG 1 x MG
Ligand NO3 1 x NO3
Ligand ADP 1 x ADP
Ligand CRN 1 x CRN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 4A
Spacegroup: P43212
Unit cell:
a: 96.817Å b: 96.817Å c: 166.229Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.192 0.231
Expression system: Escherichia coli

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Citations

1 review citation

Natural Products Containing 'Rare' Organophosphorus Functional Groups.
Petkowski et al. (2019)
37 other articles

12 mentions without citation

Metabolic Basis of Creatine in Health and Disease: A Bioinformatics-Assisted Review.
Bonilla et al. (2021)
11 more