MolNFT v2 · #116075 · protein
Crystal structure of CK2alpha bound to CAM4066
5CU4 · Casein kinase II subunit alpha: “Crystal structure of CK2alpha bound to CAM4066”. X-ray diffraction at 1.56, 1 ligand (54S), 2 pockets (best druggability 0.76). MolNFT v2 #116075 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5CU4
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.56
- Source
- Homo sapiens
- Molecule
- Casein kinase II subunit alpha
- EC
- 2.7.11.1
- UniProt
- P68400
- Ligands
- 54S
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · resolution 1.56 · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 327 | 43% helix, 15% strand | P68400 |
Ligands and binding sites
- 54S · N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide · ligand · chains A
- ACT · Acetate ion · additive · 3 copies · 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 | 558 | 0.76 | 0.83 | 59 | 54S |
| 2 | 61 | 0.34 | 0.77 | 14 | empty |
Compared structures
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 P68400
- Elsewhere: RCSB PDB 5CU4 · PDBe 5CU4 · UniProt P68400
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