› 6bq8

Hybrid

Joint X-ray/neutron structure of PKG II CNB-B domain in complex with 8-pCPT-cGMP

Released:
DOI: 10.2210/pdb6bq8/pdb
PDB entry 6bq8 coloured by chain, front view.
PDB entry 6bq8 coloured by chain, side view.
PDB entry 6bq8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Neutron Crystallography Detects Differences in Protein Dynamics: Structure of the PKG II Cyclic Nucleotide Binding Domain in Complex with an Activator.
Gerlits O, Campbell JC, Blakeley MP, Kim C, Kovalevsky A
Biochemistry 57 1833-1837 (2018)
PMID: 29517905

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171613 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
cGMP-dependent protein kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 152 amino acids
Theoretical weight: 17.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13237 (Residues: 269-418; Coverage: 20%)
Gene names: PRKG2, PRKGR2
Sequence domains: Cyclic nucleotide-binding domain
Structure domains: Jelly Rolls

Ligands and Environments

4 bound ligands:
Ligand WNU 1 x WNU
Ligand SR 1 x SR
Ligand MPD 1 x MPD
Ligand DOD 40 x DOD
No modified residues

Experiments and Validation Details

Experimental Method: Neutron Diffraction, X-ray diffraction
X-ray source: RIGAKU MICROMAX-007 HF, ILL BEAMLINE LADI III
Spacegroup: P212121
Unit cell:
a: 43.65Å b: 51.3Å c: 68.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.199 0.245
Expression system: Escherichia coli

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Citations

3 mentions without citation

Improved joint X-ray and neutron refinement procedure in Phenix.
Liebschner et al. (2023)
2 more