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

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

PDB
5L0N
Type
protein
Length
127 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cgmp-dependent protein kinase 1
EC
2.7.11.12
UniProt
Q13976
Ligands
6ZA, CA, SO4
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACgmp-dependent protein kinase 1 (EC 2.7.11.12)protein12728% helix, 32% strandQ13976

Ligands and binding sites

  • 6ZA · 2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one · ligand · chains A
  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1860.400.7717SO4, 6ZA

Compared structures

  • 5L0N · PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q13976 · AlphaFold monomer V2.0 prediction for cgmp-dependent protein kinase 1 (Q13976) · a predicted model of the same protein · chain A against A, TM-score 0.85

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