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Navab voltage-gated sodium channel, I217C, in complex with class 1C anti-arrhythmic flecainide

Analyse Navab voltage-gated sodium channel, I217C, in complex with class 1C… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MVX
Type
protein
Length
847 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ion transport protein
UniProt
A8EVM5
Ligands
K4D, PO4
Pockets
18 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 84% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIon transport proteinprotein21383% helix, 0% strandA8EVM5
BIon transport proteinprotein21184% helix, 0% strandA8EVM5
CIon transport proteinprotein21485% helix, 0% strandA8EVM5
DIon transport proteinprotein20983% helix, 0% strandA8EVM5

Ligands and binding sites

  • K4D · Flecainide · ligand · chains A, B, C, D
  • PO4 · Phosphate ion · ion · 10 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17470.790.83103K4D
22520.670.8239empty
31120.650.8928empty
4630.640.9324empty
54270.640.7743empty

Interfaces

4 interfaces between chains.

  • C–D · 1483 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 1448 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 1442 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 1354 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6MVX · NavAb Voltage-gated Sodium Channel, I217C, in Complex with Class 1C Anti-arrhythmic… · the same entry in another collection · chain A against A, TM-score 1.00

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