MolNFT v1 · #58099 · protein
Crystal structure of CK2ALPHA with pyradine derivative
3AT3 · Casein kinase II subunit alpha: “Crystal structure of CK2ALPHA with pyradine derivative”. X-ray diffraction, 1 ligand (ATK), 4 pockets (best druggability 0.68). MolNFT v1 #58099 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3AT3
- Type
- protein
- Length
- 332 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
- ATK
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 332 | 40% helix, 15% strand | P68400 |
Ligands and binding sites
- ATK · (1-{6-[6-(cyclopentylamino)-1H-indazol-1-yl]pyrazin-2-yl}-1H-pyrrol-3-yl)acetic acid · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 452 | 0.68 | 0.79 | 51 | ATK |
| 2 | 57 | 0.36 | 0.78 | 16 | empty |
| 3 | 52 | 0.32 | 0.77 | 13 | empty |
| 4 | 59 | 0.31 | 0.75 | 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 3AT3 · PDBe 3AT3 · UniProt P68400
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.