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Crystal structure of the voltage-gated sodium channel navms (F208L) in complex with tamoxifen (2.8 ångström resolution)

Analyse Crystal structure of the voltage-gated sodium channel navms (F208L) in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SXF
Type
protein
Length
526 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ion transport protein
UniProt
A0L5S6
Ligands
2CV, CTX, NA
Pockets
4 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 82% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BIon transport proteinprotein26382% helix, 0% strandA0L5S6

Ligands and binding sites

  • 2CV · Hega-10 · ligand · 4 copies · chains A, B
  • CTX · (Z)-2-[4-(1,2)-diphenyl-1-butenyl)-phenoxy]-N,N-dimethylethanamine · ligand · 3 copies · chains A, B
  • NA · Sodium ion · metal · 6 copies · chains A
  • 12P · Dodecaethylene glycol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11460.510.7921empty
21490.480.7819empty
3580.320.7612empty
4540.320.769empty

Compared structures

  • 6SXF · Crystal Structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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