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MolNFT v1 · #156658 · protein

Crystal structure of human NAV1.4 cterminal domain in complex with apo calmodulin

6MBA · Sodium channel protein type 4 subunit alpha: “Crystal structure of human NAV1.4 cterminal domain in complex with apo calmodulin”. X-ray diffraction, 2 ligands (CL, CO3), 2 pockets (best druggability 0.70). MolNFT v1 #156658 on…

PDB
6MBA
Type
protein
Length
275 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sodium channel protein type 4 subunit alpha; Calmodulin-1
UniProt
P35499, P0DP29
Ligands
CL, CO3
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASodium channel protein type 4 subunit alphaprotein13063% helix, 8% strandP35499
BCalmodulin-1protein14558% helix, 8% strandP0DP29

Ligands and binding sites

  • CL · Chloride ion · ion · 4 copies · chains A, B
  • CO3 · Carbonate ion · ion · chains B
  • EDO · 1,2-ethanediol · additive · chains B
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15170.700.8061empty
2640.330.7715empty

Interfaces

1 interface between chains.

  • A–B · 1582 Ų buried · 36 hydrogen bonds · protein-protein

Compared structures

  • 6MBA · Crystal Structure of Human Nav1.4 CTerminal Domain in Complex with apo Calmodulin · 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 0.82
  • P0DP29 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP29) · a predicted model of the same protein · chain B against A, TM-score 0.42

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