MolNFT v1 · #58100 · protein
Crystal structure of CK2ALPHA with pyradine derivertive
3AT4 · Casein kinase II subunit alpha: “Crystal structure of CK2ALPHA with pyradine derivertive”. X-ray diffraction, 1 ligand (CCK), 5 pockets (best druggability 0.67). MolNFT v1 #58100 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3AT4
- Type
- protein
- Length
- 331 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
- CCK
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 331 | 39% helix, 15% strand | P68400 |
Ligands and binding sites
- CCK · [1-(6-{6-[(1-methylethyl)amino]-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
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 | 363 | 0.67 | 0.80 | 41 | CCK |
| 2 | 59 | 0.36 | 0.78 | 13 | empty |
| 3 | 64 | 0.35 | 0.77 | 12 | empty |
| 4 | 52 | 0.27 | 0.73 | 14 | empty |
| 5 | 50 | 0.24 | 0.73 | 18 | 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 3AT4 · PDBe 3AT4 · UniProt P68400
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