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Structure of casein kinase gamma 3 in complex with inhibitor

Analyse Structure of casein kinase gamma 3 in complex with inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2IZR
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
2.7.11.1
UniProt
Q9Y6M4
Ligands
BRK, MG, CL
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACasein kinase I isoform gamma-3 (EC 2.7.11.1)protein29837% helix, 17% strandQ9Y6M4

Ligands and binding sites

  • BRK · {(2Z)-4-amino-2-[(4-methoxyphenyl)imino]-2,3-dihydro-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · 4 copies · chains A
  • PGO · S-1,2-propanediol · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13720.650.7937BRK, PGO
2860.570.8721empty
3620.300.7421empty

Compared structures

  • 2IZR · Structure of casein kinase gamma 3 in complex with inhibitor · 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 0.98

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