MolNFT v1 · #40678 · protein
Structure of casein kinase gamma 3 in complex with inhibitor
2IZS · Casein kinase I isoform gamma-3: “Structure of casein kinase gamma 3 in complex with inhibitor”. X-ray diffraction, 3 ligands (BRQ, MG, CL), 2 pockets (best druggability 0.67). MolNFT v1 #40678 on GenesisL1: 3D structure, binding…
- PDB
- 2IZS
- 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
- BRQ, MG, CL
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase I isoform gamma-3 (EC 2.7.11.1) | protein | 298 | 37% helix, 17% strand | Q9Y6M4 |
Ligands and binding sites
- BRQ · {[4-amino-2-(3-chloroanilino)-1,3-thiazol-5-yl](4-fluorophenyl)methanone · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 2 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.67 | 0.80 | 34 | BRQ, PGO |
| 2 | 62 | 0.42 | 0.81 | 13 | empty |
Compared structures
- 2IZS · 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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9Y6M4
- Elsewhere: RCSB PDB 2IZS · PDBe 2IZS · UniProt Q9Y6M4
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