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Pkg II'S carboxyl terminal cyclic nucleotide binding domain (cnb-B) in a complex with cgmp

Analyse Pkg II'S carboxyl terminal cyclic nucleotide binding domain (cnb-B) in a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5BV6
Type
protein
Length
150 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cgmp-dependent protein kinase 2
EC
2.7.11.12
UniProt
Q13237
Ligands
35G, CA, NA
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACgmp-dependent protein kinase 2 (EC 2.7.11.12)protein15040% helix, 27% strandQ13237

Ligands and binding sites

  • 35G · Guanosine-3',5'-monophosphate · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A
  • NA · Sodium ion · metal · chains A
  • ACT · Acetate ion · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11170.720.932235G

Compared structures

  • 5BV6 · PKG II's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with cGMP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q13237 · AlphaFold monomer V2.0 prediction for cgmp-dependent protein kinase 2 (Q13237) · a predicted model of the same protein · chain A against A, TM-score 0.81

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