MolNFT v1 · #52381 · protein
Structure of human calcium calmodulin dependent protein kinase type II alpha (CAMK2A) in complex with indirubin E804
2VZ6 · Calcium calmodulin dependent protein kinase type II alpha…: “Structure of human calcium calmodulin dependent protein kinase type II alpha (CAMK2A) in complex with…”. X-ray diffraction, 1 ligand (FEF), 10 pockets (best druggability…
- 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
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