MolNFT v1 · #109618 · protein
E178D selectivity filter mutant of navms voltage-gated pore
4X88 · Ion transport protein: “E178D selectivity filter mutant of navms voltage-gated pore”. X-ray diffraction, 2 ligands (2CV, NA), 1 pocket (best druggability 0.75). MolNFT v1 #109618 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4X88
- Type
- protein
- Length
- 364 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ion transport protein
- UniProt
- A0L5S6
- Ligands
- 2CV, NA
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ion transport protein | protein | 92 | 79% helix, 0% strand | A0L5S6 |
| B | Ion transport protein | protein | 90 | 81% helix, 0% strand | A0L5S6 |
| C, D | Ion transport protein | protein | 91 | 79% helix, 0% strand | A0L5S6 |
Ligands and binding sites
- 2CV · Hega-10 · ligand · 4 copies · chains A, B, C, D
- NA · Sodium ion · metal · 4 copies · chains A
- 1PE · Pentaethylene glycol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 904 | 0.75 | 0.78 | 96 | 2CV |
Interfaces
5 interfaces between chains.
- C–D · 710 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 697 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 182 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 161 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 52 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4X88 · E178D Selectivity filter mutant of NavMS voltage-gated pore · 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 A0L5S6
- Elsewhere: RCSB PDB 4X88 · PDBe 4X88 · UniProt A0L5S6
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