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Structure of NAVAB/NAV1.7-VS2A chimera trapped in the resting state by tarantula toxin M3-huwentoxin-IV

Analyse Structure of NAVAB/NAV1.7-VS2A chimera trapped in the resting state by… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7K48
Type
protein
Length
1,048 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,ION transport PROTEIN,SODIUM channel…
UniProt
A8EVM5, Q15858, P83303
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 2 distinct chains · 72% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DMALTOSE/MALTODEXTRIN-binding periplasmic PROTEIN,ION transport PROTEIN,SODIUM channel protein type 9 subunit alpha chimeraprotein22981% helix, 0% strandA8EVM5, Q15858
E, F, G, HMu-theraphotoxin-HS2Aprotein339% helix, 24% strandP83303

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19770.880.88105empty
24070.720.8354empty
33570.720.8444empty
43910.720.8347empty
53680.710.8347empty

Interfaces

12 interfaces between chains.

  • A–B · 1840 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 1817 Ų buried · 7 hydrogen bonds · protein-protein
  • C–D · 1794 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 1786 Ų buried · 5 hydrogen bonds · protein-protein
  • C–G · 491 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 7K48 · Structure of NavAb/Nav1.7-VS2A chimera trapped in the resting state by tarantula toxin… · the same entry in another collection · chain H against H, TM-score 1.00
  • Q15858 · AlphaFold monomer V2.0 prediction for sodium channel protein type 9 subunit alpha (Q15858) · a predicted model of the same protein · chain C against A, TM-score 0.87

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