MolNFT v1 · #121384 · protein
Drosophila camkii-D136N in complex with a phosphorylated fragment of the eag potassium channel and MG2+/ADP
5HU3 · CALCIUM/CALMODULIN-dependent protein kinase type II alpha…: “Drosophila camkii-D136N in complex with a phosphorylated fragment of the eag potassium channel and MG2+/ADP”. X-ray diffraction, 2 ligands (ADP, MG), 4 pockets (best…
- PDB
- 5HU3
- Type
- protein
- Length
- 282 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; Potassium voltage-gated…
- EC
- 2.7.11.17
- UniProt
- Q00168, Q02280
- Ligands
- ADP, MG
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 20% 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 | 266 | 37% helix, 21% strand | Q00168 |
| B | Potassium voltage-gated channel protein eag | protein | 16 | 0% helix, 13% strand | Q02280 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 220 | 0.74 | 0.89 | 33 | ADP, MG |
| 2 | 170 | 0.67 | 0.87 | 18 | empty |
| 3 | 81 | 0.39 | 0.78 | 17 | empty |
| 4 | 51 | 0.33 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1050 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 5HU3 · Drosophila CaMKII-D136N in complex with a phosphorylated fragment of the Eag potassium… · the same entry in another collection · chain A against A, TM-score 1.00
- Q00168 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase type II… · a predicted model of the same protein · chain A against A, TM-score 0.92
- Q02280 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel protein eag (Q02280) · a predicted model of the same protein · chain B against A, TM-score 0.32
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 Q00168
- Every structure of UniProt Q02280
- Elsewhere: RCSB PDB 5HU3 · PDBe 5HU3 · UniProt Q00168 · UniProt Q02280
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