MolNFT v1 · #162087 · protein
Human CSNK2A1 bound to erb-041
6QY7 · Casein kinase II subunit alpha: “Human CSNK2A1 bound to erb-041”. X-ray diffraction, 2 ligands (041, CL), 4 pockets (best druggability 0.68). MolNFT v1 #162087 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6QY7
- Type
- protein
- Length
- 664 residues
- Chains
- 2
- 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
- 041, CL
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 334 | 40% helix, 16% strand | P68400 |
| B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 330 | 42% helix, 15% strand | P68400 |
Ligands and binding sites
- 041 · 2-(3-fluoro-4-hydroxyphenyl)-7-vinyl-1,3-benzoxazol-5-ol · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · chains B
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 | 289 | 0.68 | 0.83 | 40 | 041 |
| 2 | 230 | 0.65 | 0.83 | 34 | 041 |
| 3 | 59 | 0.34 | 0.77 | 15 | empty |
| 4 | 56 | 0.34 | 0.77 | 16 | 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 6QY7 · PDBe 6QY7 · UniProt P68400
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