MolNFT v1 · #170998 · protein
Crystal structure of CK2ALPHA with compound 1 bound
6YPJ · Casein kinase II subunit alpha: “Crystal structure of CK2ALPHA with compound 1 bound”. X-ray diffraction, 1 ligand (P5W), 4 pockets (best druggability 0.66). MolNFT v1 #170998 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6YPJ
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase II subunit alpha
- EC
- 2.7.11.1
- UniProt
- P68400
- Ligands
- P5W
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 327 | 39% helix, 15% strand | P68400 |
Ligands and binding sites
- P5W · 4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid · ligand · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 447 | 0.66 | 0.78 | 44 | P5W |
| 2 | 53 | 0.56 | 0.90 | 19 | empty |
| 3 | 79 | 0.47 | 0.81 | 16 | empty |
| 4 | 54 | 0.28 | 0.74 | 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 6YPJ · PDBe 6YPJ · UniProt P68400
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