Research workbench
Crystal structure of the P/Q-type calcium channel (CAV2.1) iq domain and CA2+CALMODULIN complex
Analyse Crystal structure of the P/Q-type calcium channel (CAV2.1) iq domain and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BXK
- Type
- protein
- Length
- 315 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Voltage-dependent P/Q-type calcium channel subunit alpha-1A peptide
- UniProt
- P62161, O00555
- Ligands
- CA, SO4
- Pockets
- 5 · best druggability 0.57
Structure
x-ray diffraction · 4 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 137 | 59% helix, 4% strand | P62161 |
| B | Voltage-dependent P/Q-type calcium channel subunit alpha-1A peptide | protein | 17 | 88% helix, 0% strand | O00555 |
| C | Calmodulin | protein | 142 | 62% helix, 4% strand | P62161 |
| D | Voltage-dependent P/Q-type calcium channel subunit alpha-1A peptide | protein | 19 | 89% helix, 0% strand | O00555 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 211 | 0.57 | 0.80 | 30 | empty |
| 2 | 84 | 0.41 | 0.79 | 16 | empty |
| 3 | 92 | 0.38 | 0.77 | 15 | empty |
| 4 | 54 | 0.37 | 0.79 | 15 | empty |
| 5 | 74 | 0.34 | 0.75 | 15 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1400 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1310 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 532 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3BXK · Crystal structure of the P/Q-type calcium channel (CaV2.1) IQ domain and CA2+calmodulin… · the same entry in another collection · chain A against A, TM-score 1.00
- O00555 · AlphaFold monomer V2.0 prediction for voltage-dependent P/Q-type calcium channel subunit… · a predicted model of the same protein · chain D against A, TM-score 0.76
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 P62161
- Every structure of UniProt O00555
- Elsewhere: RCSB PDB 3BXK · PDBe 3BXK · UniProt P62161 · UniProt O00555
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