› 2kuh

Solution NMR

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

Released:
DOI: 10.2210/pdb2kuh/pdb
PDB entry 2kuh coloured by chain, ensemble of 5 models, front view.
PDB entry 2kuh coloured by chain, ensemble of 5 models, side view.
PDB entry 2kuh coloured by chain, ensemble of 5 models, top view.
Source organism: Homo sapiens
Primary publication:
Halothane binds to druggable sites in the [Ca2+]4-calmodulin (CaM) complex, but does not inhibit [Ca2+]4-CaM activation of kinase.
Juranic NO, Jones KA, Penheiter AR, Hock TJ, Streiff JH
J. Serb. Chem. Soc. 78 1655-1670 (2013)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-143908 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Calmodulin-1 Chain: A
Molecule details ›
Chain: A
Length: 67 amino acids
Theoretical weight: 7.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P0DP23 (Residues: 83-149; Coverage: 45%)
Gene names: CALM, CALM1, CAM, CAM1
Sequence domains: EF-hand domain pair

Ligands and Environments

2 bound ligands:
Ligand CA 2 x CA
Ligand HLT 1 x HLT
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: simulated annealing, CHARMm22 energy minimization
Expression system: Escherichia coli

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