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MolNFT v1 · #114756 · protein

Navms voltage-gated sodium channel pore and C-terminal domain

5BZB · Ion transport protein: “Navms voltage-gated sodium channel pore and C-terminal domain”. X-ray diffraction, 2 ligands (2CV, NA), 2 pockets (best druggability 0.67). MolNFT v1 #114756 on GenesisL1: 3D structure, binding sites and…

PDB
5BZB
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
2 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIon transport proteinprotein9278% helix, 0% strandA0L5S6
BIon transport proteinprotein9080% helix, 0% strandA0L5S6
C, DIon transport proteinprotein9180% helix, 0% strandA0L5S6

Ligands and binding sites

  • 2CV · Hega-10 · ligand · 4 copies · chains A, B, C, D
  • NA · Sodium ion · metal · 6 copies · chains A, B, C, D
  • 12P · Dodecaethylene glycol · additive · 3 copies · chains A, B, C

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14390.670.78482CV
25090.660.77492CV

Interfaces

5 interfaces between chains.

  • A–B · 696 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 679 Ų buried · 8 hydrogen bonds · protein-protein
  • A–D · 178 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 152 Ų buried · 0 hydrogen bonds · protein-protein
  • A–C · 49 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5BZB · NavMs voltage-gated sodium channel pore and C-terminal domain · the same entry in another collection · chain A against A, TM-score 1.00

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