MolNFT v1 · #129751 · protein
The crystal structure of CK2ALPHA in complex with compound 30
5OTO: “The crystal structure of CK2ALPHA in complex with compound 30”. X-ray diffraction, 2 ligands (AQW, PO4). MolNFT v1 #129751 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5OTO
- Type
- protein
- Length
- 651 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P68400
- Ligands
- AQW, PO4
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | — | protein | 324 | — | P68400 |
| A | — | protein | 327 | — | P68400 |
Ligands and binding sites
- AQW · 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine · ligand · 2 copies · chains B, A
- PO4 · Phosphate ion · ion · 2 copies · chains B, A
- ACT · Acetate ion · additive · 7 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5OTO · The crystal structure of CK2alpha in complex with compound 30 · the same entry in another collection · chain B against B, 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 B against A, TM-score 0.99
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 5OTO · PDBe 5OTO · UniProt P68400
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