MolNFT v1 · #127182 · protein
Crystal structure of CK2ALPHA with ZT0432 bound
5MOW · Casein kinase II subunit alpha: “Crystal structure of CK2ALPHA with ZT0432 bound”. X-ray diffraction, 1 ligand (BR9), 10 pockets (best druggability 0.67). MolNFT v1 #127182 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5MOW
- Type
- protein
- Length
- 652 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
- BR9
- Pockets
- 10 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 328 | 40% helix, 16% strand | P68400 |
| B | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 324 | 39% helix, 16% strand | P68400 |
Ligands and binding sites
- BR9 · 5-bromopyridine-2,3-diamine · ligand · chains A
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 458 | 0.67 | 0.79 | 45 | empty |
| 2 | 403 | 0.67 | 0.79 | 41 | BR9 |
| 3 | 426 | 0.60 | 0.75 | 37 | empty |
| 4 | 187 | 0.45 | 0.74 | 27 | empty |
| 5 | 61 | 0.37 | 0.79 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 503 Ų buried · 9 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 5MOW · PDBe 5MOW · UniProt P68400
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