› 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 2kuh coloured by chain and viewed from the front.
PDB 2kuh coloured by chain and viewed from the side.
PDB 2kuh coloured by chain and viewed from the top.
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)
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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