MolNFT v1 · #57922 · protein
Crystal structure of human CK2 alpha complexed with apigenin
3AMY · Casein kinase II subunit alpha: “Crystal structure of human CK2 alpha complexed with apigenin”. X-ray diffraction, 1 ligand (AGI), 2 pockets (best druggability 0.63). MolNFT v1 #57922 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3AMY
- Type
- protein
- Length
- 318 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
- AGI
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 318 | 40% helix, 14% strand | P68400 |
Ligands and binding sites
- AGI · 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.63 | 0.94 | 18 | EDO |
| 2 | 238 | 0.56 | 0.78 | 31 | AGI |
Compared structures
- 3AMY · Crystal structure of human CK2 alpha complexed with apigenin · 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 3AMY · PDBe 3AMY · UniProt P68400
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