MolNFT v2 · #158417 · protein
NavAb Voltage-gated Sodium Channel, residues 1-239 with mutation T206S
6MWD · Ion transport protein: “NavAb Voltage-gated Sodium Channel, residues 1-239 with mutation T206S”. X-ray diffraction at 2.327, 3 ligands (PX4, CPS, SO4), 1 pocket (best druggability 0.45). MolNFT v2 #158417 on GenesisL1: 3D structure…
- PDB
- 6MWD
- Type
- protein
- Length
- 236 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.327
- Source
- Arcobacter butzleri (strain RM4018)
- Molecule
- Ion transport protein
- UniProt
- A8EVM5
- Ligands
- PX4, CPS, SO4
- Pockets
- 1 · best druggability 0.45
Structure
x-ray diffraction · resolution 2.327 · 1 distinct chain · 87% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Ion transport protein | protein | 236 | 87% helix, 0% strand | A8EVM5 |
Ligands and binding sites
- PX4 · 1,2-dimyristoyl-sn-glycero-3-phosphocholine · ligand · 4 copies · chains B
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · 3 copies · chains B
- SO4 · Sulfate ion · ion · chains B
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.45 | 0.79 | 19 | empty |
Compared structures
- 6MWD · Navab voltage-gated sodium channel, residues 1-239 with mutation T206S · the same entry in another collection · chain B against B, 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 6MWD · PDBe 6MWD · UniProt A8EVM5
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