MolNFT v1 · #165164 · protein
Human CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4-bromobenzotriazole
6TLW · Casein kinase II subunit alpha: “Human CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4-bromobenzotriazole”. X-ray diffraction, 2 ligands (NKZ, CL), 3 pockets (best druggability 0.71). MolNFT v1 #165164 on…
- PDB
- 6TLW
- Type
- protein
- Length
- 333 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
- NKZ, CL
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 333 | 41% helix, 14% strand | P68400 |
Ligands and binding sites
- NKZ · 7-bromanyl-1~{H}-benzotriazole · ligand · chains A
- CL · Chloride ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 80 | 0.71 | 0.94 | 19 | NKZ |
| 2 | 193 | 0.50 | 0.77 | 22 | empty |
| 3 | 56 | 0.35 | 0.78 | 15 | empty |
Compared structures
- 6TLW · Human CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- P68400 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P68400) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 6TLW · PDBe 6TLW · UniProt P68400
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