MolNFT v1 · #33511 · protein
Structure of human casein kinase 1 gamma-1 in complex with 2-(2- hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
2CMW · Casein kinase I isoform gamma-1: “Structure of human casein kinase 1 gamma-1 in complex with 2-(2…”. X-ray diffraction, 2 ligands (OLP, PO4), 1 pocket (best druggability 0.68). MolNFT v1 #33511 on GenesisL1: 3D structure, binding…
- PDB
- 2CMW
- Type
- protein
- Length
- 295 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase I isoform gamma-1
- EC
- 2.7.11.1
- UniProt
- Q9HCP0
- Ligands
- OLP, PO4
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase I isoform gamma-1 (EC 2.7.11.1) | protein | 295 | 36% helix, 15% strand | Q9HCP0 |
Ligands and binding sites
- OLP · 2-(2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine · ligand · 3 copies · chains A
- PO4 · Phosphate ion · ion · chains A
- ACT · Acetate ion · additive · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 362 | 0.68 | 0.81 | 36 | OLP |
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 2CMW · Structure of Human Casein kinase 1 gamma-1 in complex with 2-(2… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HCP0 · AlphaFold monomer V2.0 prediction for casein kinase I isoform gamma-1 (Q9HCP0) · 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 Q9HCP0
- Elsewhere: RCSB PDB 2CMW · PDBe 2CMW · UniProt Q9HCP0
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