MolNFT v1 · #100390 · protein
Structural basis for CA2+ selectivity of a voltage-gated calcium channel
4MW3 · Ion transport protein: “Structural basis for CA2+ selectivity of a voltage-gated calcium channel”. X-ray diffraction, 2 ligands (PX4, CA), 20 pockets (best druggability 0.85). MolNFT v1 #100390 on GenesisL1: 3D structure, binding…
- PDB
- 4MW3
- Type
- protein
- Length
- 876 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ion transport protein
- UniProt
- A8EVM5
- Ligands
- PX4, CA
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 81% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ion transport protein | protein | 219 | 81% helix, 0% strand | A8EVM5 |
Ligands and binding sites
- PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine · ligand · 16 copies · chains A, C, B, D
- CA · Calcium ion · metal · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 843 | 0.85 | 0.86 | 90 | PX4, CA |
| 2 | 205 | 0.58 | 0.79 | 22 | empty |
| 3 | 77 | 0.53 | 0.84 | 12 | empty |
| 4 | 84 | 0.52 | 0.83 | 15 | empty |
| 5 | 189 | 0.51 | 0.78 | 28 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1555 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 1554 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 1553 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 1536 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 26 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4MW3 · Structural Basis for Ca2+ Selectivity of a Voltage-gated Calcium Channel · the same entry in another collection · chain A against A, TM-score 1.00
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 A8EVM5
- Elsewhere: RCSB PDB 4MW3 · PDBe 4MW3 · UniProt A8EVM5
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