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MolNFT v1 · #96653 · protein

Voltage-gated sodium channel 1.2 C-terminal domain in complex with FGF13U and CA2+/CALMODULIN

4JPZ · Fibroblast growth factor 13: “Voltage-gated sodium channel 1.2 C-terminal domain in complex with FGF13U and CA2+/CALMODULIN”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.62). MolNFT v1 #96653 on GenesisL1: 3D…

PDB
4JPZ
Type
protein
Length
866 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fibroblast growth factor 13; Sodium channel protein type 2 subunit alpha; Calmodulin
UniProt
Q92913, Q99250, P62158
Ligands
CA
Pockets
11 · best druggability 0.62

Structure

x-ray diffraction · 3 distinct chains · 39% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EFibroblast growth factor 13protein1488% helix, 50% strandQ92913
B, HSodium channel protein type 2 subunit alphaprotein14257% helix, 8% strandQ99250
C, ICalmodulinprotein14354% helix, 6% strandP62158

Ligands and binding sites

  • CA · Calcium ion · metal · 8 copies · chains C, I

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

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13250.620.7835empty
23560.610.7739empty
34820.610.7568empty
42290.540.7722empty
53140.540.7448empty

Interfaces

7 interfaces between chains.

  • B–C · 1765 Ų buried · 16 hydrogen bonds · protein-protein
  • H–I · 1747 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1099 Ų buried · 17 hydrogen bonds · protein-protein
  • E–H · 1091 Ų buried · 16 hydrogen bonds · protein-protein
  • A–I · 194 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4JPZ · Voltage-gated sodium channel 1.2 C-terminal domain in complex with FGF13U and… · the same entry in another collection · chain I against I, TM-score 1.00
  • Q92913 · AlphaFold monomer V2.0 prediction for fibroblast growth factor 13 (Q92913) · a predicted model of the same protein · chain E against A, TM-score 0.99
  • Q99250 · AlphaFold monomer V2.0 prediction for sodium channel protein type 2 subunit alpha (Q99250) · a predicted model of the same protein · chain B against A, TM-score 0.72

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