› 5yv9

X-ray diffraction
2.53Å resolution

Structure of CaMKK2 in complex with CKI-009

Released:
DOI: 10.2210/pdb5yv9/pdb
PDB entry 5yv9 coloured by chain, front view.
PDB entry 5yv9 coloured by chain, side view.
PDB entry 5yv9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method.
Takaya D, Niwa H, Mikuni J, Nakamura K, Handa N, Tanaka A, Yokoyama S, Honma T
J Mol Graph Model 99 107599 (2020)
PMID: 32348940

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188735 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Calcium/calmodulin-dependent protein kinase kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 33.71 KDa
Source organism: Homo sapiens
Expression system: unidentified
UniProt:
  • Canonical: Q96RR4 (Residues: 158-448; Coverage: 50%)
Gene names: CAMKK2, CAMKKB, KIAA0787
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand 91O 1 x 91O
Ligand GOL 2 x GOL
Ligand CL 1 x CL
1 modified residue:
Ligand CAS 1 x CAS

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL26B2
Spacegroup: P212121
Unit cell:
a: 66.823Å b: 78.017Å c: 83.71Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.168 0.222
Expression system: unidentified

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Citations

4 review citations

Nanopore Technology for the Application of Protein Detection.
Zeng et al. (2021)
3 more