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Voltage-gated sodium channel NaV1.4 IQ domain in complex with Ca2+/Calmodulin

Analyse Voltage-gated sodium channel NaV1.4 IQ domain in complex with Ca2+/Calmodulin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MUE
Type
protein
Length
154 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.9
Source
Homo sapiens; SYNTHETIC CONSTRUCT
Molecule
Calmodulin-1; Sodium channel protein type 4 subunit alpha
UniProt
P0DP23, P15390
Ligands
CA
Pockets
3 · best druggability 0.61

Structure

x-ray diffraction · resolution 1.9 · 2 distinct chains · 65% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalmodulin-1protein13964% helix, 6% strandP0DP23
BSodium channel protein type 4 subunit alphaprotein1573% helix, 0% strandP15390

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1650.610.9016empty
2690.430.7911empty
3650.400.8010empty

Interfaces

1 interface between chains.

  • A–B · 445 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6MUE · Voltage-gated sodium channel NAV1.4 iq domain in complex with CA2+/CALMODULIN · the same entry in another collection · chain A against A, TM-score 1.00
  • P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain A against A, TM-score 0.63
  • P15390 · AlphaFold monomer V2.0 prediction for sodium channel protein type 4 subunit alpha (P15390) · a predicted model of the same protein · chain B against A, TM-score 0.61

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