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Halothane binds to druggable sites in calcium-calmodulin: Solution Structure of halothane-CaM N-terminal domain

Analyse Halothane binds to druggable sites in calcium-calmodulin: Solution Structure of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2KUG
Type
protein
Length
76 residues
Chains
1
Method
solution nmr
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
NOT
Source
Homo sapiens
Molecule
Calmodulin-1
UniProt
P0DP23
Ligands
HLT, CA

Structure

solution nmr · resolution NOT · 1 distinct chain · 58% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalmodulin-1protein7658% helix, 3% strandP0DP23

Ligands and binding sites

  • HLT · 2-bromo-2-chloro-1,1,1-trifluoroethane · ligand · chains A
  • CA · Calcium ion · metal · 2 copies · chains A

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

Compared structures

  • 2KUG · Halothane binds to druggable sites in calcium-calmodulin: solution structure of… · 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 0.79

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