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MolNFT v1 · #142813 · protein

Structure of the human voltage-gated sodium channel NAV1.4 in complex with BETA1

6AGF · Sodium channel protein type 4 subunit alpha: “Structure of the human voltage-gated sodium channel NAV1.4 in complex with BETA1”. Electron microscopy, 4 ligands (6OU, 9Z9, NAG), 20 pockets (best druggability 0.81). MolNFT v1 #142813…

PDB
6AGF
Type
protein
Length
1,311 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sodium channel protein type 4 subunit alpha; Sodium channel subunit beta-1
UniProt
P35499, Q07699
Ligands
6OU, 9Z9, NAG, BMA
Pockets
20 · best druggability 0.81

Structure

electron microscopy · 2 distinct chains · 60% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASodium channel protein type 4 subunit alphaprotein113865% helix, 2% strandP35499
BSodium channel subunit beta-1protein17323% helix, 29% strandQ07699

Ligands and binding sites

  • 6OU · [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate · ligand · 6 copies · chains A
  • 9Z9 · (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · chains A

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16180.810.86596OU, 9Z9
25450.700.7963empty
31600.670.8724empty
42940.650.8120empty
51140.630.8718empty

Interfaces

1 interface between chains.

  • A–B · 2021 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 6AGF · Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P35499 · AlphaFold monomer V2.0 prediction for sodium channel protein type 4 subunit alpha (P35499) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q07699 · AlphaFold monomer V2.0 prediction for sodium channel subunit beta-1 (Q07699) · a predicted model of the same protein · chain B against A, TM-score 0.90

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