MolNFT v1 · #120720 · protein
Drosophila camkii-wt in complex with a fragment of the eag potassium channel and MG2+/AMPPN
5H9B · CALCIUM/CALMODULIN-dependent protein kinase II, isoform C: “Drosophila camkii-wt in complex with a fragment of the eag potassium channel and MG2+/AMPPN”. X-ray diffraction, 2 ligands (AN2, MG), 3 pockets (best druggability 0.79).…
- PDB
- 5H9B
- Type
- protein
- Length
- 286 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CALCIUM/CALMODULIN-dependent protein kinase II, isoform C; Potassium voltage-gated…
- EC
- 2.7.11.-, 2.7.11.17
- UniProt
- A4V133, Q02280
- Ligands
- AN2, MG
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CALCIUM/CALMODULIN-dependent protein kinase II, isoform C (EC 2.7.11.-, 2.7.11.17) | protein | 269 | 36% helix, 20% strand | A4V133 |
| B | Potassium voltage-gated channel protein eag | protein | 17 | 0% helix, 12% strand | Q02280 |
Ligands and binding sites
- AN2 · Amp phosphoramidate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 437 | 0.79 | 0.87 | 46 | AN2, MG |
| 2 | 95 | 0.40 | 0.77 | 18 | empty |
| 3 | 57 | 0.27 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1042 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 5H9B · Drosophila CaMKII-wt in complex with a fragment of the Eag potassium channel and… · the same entry in another collection · chain A against A, TM-score 1.00
- 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 0.24
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 A4V133
- Every structure of UniProt Q02280
- Elsewhere: RCSB PDB 5H9B · PDBe 5H9B · UniProt A4V133 · UniProt Q02280
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