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Crystal structure of CA2+-calmodulin in complex with a TRPV1 C- terminal peptide

Analyse Crystal structure of CA2+-calmodulin in complex with a TRPV1 C- terminal peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SUI
Type
protein
Length
161 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calmodulin; Transient receptor potential cation channel subfamily V member 1
UniProt
P62158, O35433
Ligands
CA, SO4
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalmodulinprotein14661% helix, 4% strandP62158
BTransient receptor potential cation channel subfamily V member 1protein1553% helix, 0% strandO35433

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A
  • SO4 · Sulfate ion · ion · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1670.400.8011empty

Interfaces

1 interface between chains.

  • A–B · 1468 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3SUI · Crystal structure of ca2+-calmodulin in complex with a trpv1 c-terminal peptide · the same entry in another collection · chain A against A, TM-score 1.00
  • O35433 · AlphaFold monomer V2.0 prediction for transient receptor potential cation channel… · a predicted model of the same protein · chain B against A, TM-score 0.41

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