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MolNFT v1 · #66244 · protein

Crystal structure of a cdpk kinase domain from cryptosporidium parvum, CGD7_40

3HKO · CALCIUM/CALMODULIN-dependent protein kinase with a kinase…: “Crystal structure of a cdpk kinase domain from cryptosporidium parvum, CGD7_40”. X-ray diffraction, 3 ligands (ANP, ZN, MG), 3 pockets (best druggability 0.67). MolNFT v1…

PDB
3HKO
Type
protein
Length
319 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CALCIUM/CALMODULIN-dependent protein kinase with a kinase domain and 2 calmodulin-like ef…
UniProt
Q5CZ29
Ligands
ANP, ZN, MG
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACALCIUM/CALMODULIN-dependent protein kinase with a kinase domain and 2 calmodulin-like ef handsprotein31940% helix, 21% strandQ5CZ29

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
  • ZN · Zinc ion · metal · chains A
  • MG · Magnesium ion · metal · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13370.670.8139ANP, MG
2640.360.7816empty
3500.270.7414empty

Compared structures

  • 3HKO · Crystal structure of a cdpk kinase domain from cryptosporidium Parvum, cgd7_40 · the same entry in another collection · chain A against A, TM-score 1.00

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