MolNFT v1 · #63816 · protein
Protein kinase CK2 in complex with the inhibitor quinalizarin
3FL5 · Casein kinase II subunit alpha: “Protein kinase CK2 in complex with the inhibitor quinalizarin”. X-ray diffraction, 1 ligand (TXQ), 3 pockets (best druggability 0.72). MolNFT v1 #63816 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3FL5
- Type
- protein
- Length
- 325 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
- P28523
- Ligands
- TXQ
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase II subunit alpha (EC 2.7.11.1) | protein | 325 | 43% helix, 15% strand | P28523 |
Ligands and binding sites
- TXQ · 1,2,5,8-tetrahydroxyanthracene-9,10-dione · ligand · chains A
- PEG · Di(hydroxyethyl)ether · additive · 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 | 109 | 0.72 | 0.93 | 24 | TXQ |
| 2 | 65 | 0.34 | 0.76 | 18 | empty |
| 3 | 60 | 0.32 | 0.76 | 12 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 3FL5 · Protein kinase CK2 in complex with the inhibitor Quinalizarin · the same entry in another collection · chain A against A, TM-score 1.00
- P28523 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P28523) · a predicted model of the same protein · chain A 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 P28523
- Elsewhere: RCSB PDB 3FL5 · PDBe 3FL5 · UniProt P28523
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