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MolNFT v1 · #123213 · protein

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

5JD7 · Cgmp-dependent protein kinase 1: “Pkg I'S carboxyl terminal cyclic nucleotide binding domain (cnb-B) in a complex with pet-cgmp”. X-ray diffraction, 1 ligand (6JR), 1 pocket (best druggability 0.63). MolNFT v1 #123213 on GenesisL1…

PDB
5JD7
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
6JR
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACgmp-dependent protein kinase 1 (EC 2.7.11.12)protein12727% helix, 34% strandQ13976

Ligands and binding sites

  • 6JR · 3-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxotetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-phenyl-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one · ligand · 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
11070.630.88206JR

Compared structures

  • 5JD7 · 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 0.91

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