MolNFT v1 · #105985 · protein
Crystal structure of human CK2ALPHA in complex with the ATP- competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)- methyl] benzoate
4RLL · Casein kinase II subunit alpha: “Crystal structure of human CK2ALPHA in complex with the ATP- competitive inhibitor…”. X-ray diffraction, 1 ligand (E91), 2 pockets (best druggability 0.67). MolNFT v1 #105985 on GenesisL1: 3D…
- PDB
- 4RLL
- Type
- protein
- Length
- 329 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
- E91
- Pockets
- 2 · best druggability 0.67
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 | 329 | 40% helix, 15% strand | P68400 |
Ligands and binding sites
- E91 · 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid · ligand · chains A
- GOL · Glycerol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 354 | 0.67 | 0.81 | 50 | E91 |
| 2 | 64 | 0.30 | 0.74 | 13 | empty |
Compared structures
- 4RLL · Crystal structure of human CK2alpha in complex with the ATP-competitive inhibitor… · 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 0.99
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 4RLL · PDBe 4RLL · UniProt P68400
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