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MolNFT v1 · #33339 · protein

Structure of casein kinase 1 gamma 3

2CHL · Casein kinase I isoform gamma-3: “Structure of casein kinase 1 gamma 3”. X-ray diffraction, 2 ligands (DKI, SO4), 1 pocket (best druggability 0.61). MolNFT v1 #33339 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2CHL
Type
protein
Length
298 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Casein kinase I isoform gamma-3
EC
2.7.1.-
UniProt
Q9Y6M4
Ligands
DKI, SO4
Pockets
1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACasein kinase I isoform gamma-3 (EC 2.7.1.-)protein29836% helix, 18% strandQ9Y6M4

Ligands and binding sites

  • DKI · 5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carbothioamide · ligand · chains A
  • SO4 · Sulfate ion · ion · 5 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12990.610.7935DKI

Compared structures

  • 2CHL · Structure of casein kinase 1 gamma 3 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y6M4 · AlphaFold monomer V2.0 prediction for casein kinase I isoform gamma-3 (Q9Y6M4) · a predicted model of the same protein · chain A against A, TM-score 0.99

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