Research workbench
Crystal structure of camkii-actinin complex bound to ADP
Analyse Crystal structure of camkii-actinin complex bound to ADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7B57
- Type
- protein
- Length
- 366 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha; Alpha-actinin-2
- EC
- 2.7.11.17
- UniProt
- P11798, P35609
- Ligands
- ADP, MG
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | CALCIUM/CALMODULIN-dependent protein kinase type II subunit alpha (EC 2.7.11.17) | protein | 303 | 44% helix, 17% strand | P11798 |
| A | Alpha-actinin-2 | protein | 63 | 51% helix, 3% strand | P35609 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains B
- MG · Magnesium ion · metal · chains B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 576 | 0.69 | 0.78 | 52 | MG, ADP |
| 2 | 319 | 0.64 | 0.80 | 28 | empty |
| 3 | 115 | 0.50 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- B–A · 763 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7B57 · Crystal structure of CaMKII-actinin complex bound to ADP · the same entry in another collection · chain B against B, TM-score 1.00
- P11798 · 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 0.98
- P35609 · AlphaFold monomer V2.0 prediction for alpha-actinin-2 (P35609) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P11798
- Every structure of UniProt P35609
- Elsewhere: RCSB PDB 7B57 · PDBe 7B57 · UniProt P11798 · UniProt P35609
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