Research workbench
Structure of human calcium calmodulin dependent protein kinase type II alpha (CAMK2A) in complex with indirubin E804
Analyse Structure of human calcium calmodulin dependent protein kinase type II alpha… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2VZ6
- Type
- protein
- Length
- 585 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium calmodulin dependent protein kinase type II alpha chain
- EC
- 2.7.11.17
- UniProt
- Q9UQM7
- Ligands
- FEF
- Pockets
- 10 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium calmodulin dependent protein kinase type II alpha chain (EC 2.7.11.17) | protein | 291 | 44% helix, 18% strand | Q9UQM7 |
| B | Calcium calmodulin dependent protein kinase type II alpha chain (EC 2.7.11.17) | protein | 294 | 42% helix, 18% strand | Q9UQM7 |
Ligands and binding sites
- FEF · (2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-{O-[(3R)-3,4-dihydroxybutyl]oxime} · ligand · 2 copies · chains A, B
- PGO · S-1,2-propanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 486 | 0.70 | 0.80 | 48 | FEF |
| 2 | 349 | 0.66 | 0.80 | 36 | FEF |
| 3 | 189 | 0.53 | 0.78 | 32 | PGO |
| 4 | 144 | 0.49 | 0.78 | 18 | empty |
| 5 | 141 | 0.43 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 775 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2VZ6 · Structure of human calcium calmodulin dependent protein kinase type II alpha (CAMK2A) in… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UQM7 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase type II… · a predicted model of the same protein · chain B against A, TM-score 0.97
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 Q9UQM7
- Elsewhere: RCSB PDB 2VZ6 · PDBe 2VZ6 · UniProt Q9UQM7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.