MolNFT v1 · #171329 · protein
Crystal structure of P8C9 bound to CK2ALPHA
6Z19 · Casein kinase II subunit alpha: “Crystal structure of P8C9 bound to CK2ALPHA”. X-ray diffraction, 4 ligands (ADP, MG, NA), 5 pockets (best druggability 0.66). MolNFT v1 #171329 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6Z19
- Type
- protein
- Length
- 335 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase II subunit alpha; P2
- EC
- 2.7.11.1
- UniProt
- P68400
- Ligands
- ADP, MG, NA, SO4
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 328 | 41% helix, 15% strand | P68400 |
| C | P2 | protein | 7 | 0% helix, 14% strand | — |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains B
- MG · Magnesium ion · metal · 2 copies · chains B
- NA · Sodium ion · metal · chains B
- SO4 · Sulfate ion · ion · 4 copies · chains B
- GOL · Glycerol · additive · 3 copies · chains B
- ACT · Acetate ion · additive · 2 copies · chains B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.66 | 0.79 | 43 | ADP, MG |
| 2 | 50 | 0.41 | 0.82 | 14 | empty |
| 3 | 73 | 0.41 | 0.79 | 13 | empty |
| 4 | 51 | 0.32 | 0.77 | 13 | empty |
| 5 | 50 | 0.30 | 0.76 | 11 | empty |
Interfaces
1 interface between chains.
- B–C · 524 Ų buried · 4 hydrogen bonds · protein-protein
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 6Z19 · PDBe 6Z19 · UniProt P68400
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