MolNFT v1 · #178921 · protein
Rabbit CAV1.1 in the presence of 1 micromolar (S)-(-)-bay K8644 in nanodiscs at 3.4 ångström resolution
7JPV · Voltage-dependent L-type calcium channel subunit alpha-1S: “Rabbit CAV1.1 in the presence of 1 micromolar (S)-(-)-bay K8644 in nanodiscs at 3.4 ångström resolution”. Electron microscopy, 3 ligands (3PE, PC1, CA), 20 pockets (best…
- PDB
- 7JPV
- Type
- protein
- Length
- 2,227 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Voltage-dependent L-type calcium channel subunit alpha-1S; Voltage-dependent calcium…
- UniProt
- P07293, P19518, P13806
- Ligands
- 3PE, PC1, CA
- Pockets
- 20 · best druggability 0.84
Structure
electron microscopy · 3 distinct chains · 47% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Voltage-dependent L-type calcium channel subunit alpha-1S | protein | 1115 | 61% helix, 3% strand | P07293 |
| E | Voltage-dependent calcium channel gamma-1 subunit | protein | 139 | 69% helix, 0% strand | P19518 |
| F | Voltage-dependent calcium channel subunit alpha-2/DELTA-1 | protein | 973 | 28% helix, 23% strand | P13806 |
Ligands and binding sites
- 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · 9 copies · chains A, E
- PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · ligand · chains A, E
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1138 | 0.84 | 0.84 | 72 | empty |
| 2 | 971 | 0.81 | 0.82 | 95 | empty |
| 3 | 803 | 0.78 | 0.82 | 90 | empty |
| 4 | 821 | 0.78 | 0.81 | 82 | 3PE |
| 5 | 1018 | 0.76 | 0.78 | 66 | empty |
Interfaces
2 interfaces between chains.
- A–F · 1868 Ų buried · 23 hydrogen bonds · protein-protein
- A–E · 1650 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide, 2 covalent (disulfide, covalent ligand).
Compared structures
- 7JPV · Rabbit Cav1.1 in the presence of 1 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4… · the same entry in another collection · chain A against A, TM-score 1.00
- P13806 · AlphaFold monomer V2.0 prediction for voltage-dependent calcium channel subunit… · a predicted model of the same protein · chain F against A, TM-score 1.00
- P07293 · AlphaFold monomer V2.0 prediction for voltage-dependent L-type calcium channel subunit… · a predicted model of the same protein · chain A against A, TM-score 0.98
- P19518 · AlphaFold monomer V2.0 prediction for voltage-dependent calcium channel gamma-1 subunit… · a predicted model of the same protein · chain E against A, TM-score 0.87
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 P07293
- Every structure of UniProt P19518
- Every structure of UniProt P13806
- Elsewhere: RCSB PDB 7JPV · PDBe 7JPV · UniProt P07293 · UniProt P19518 · UniProt P13806
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