› 1qiw

X-ray diffraction
2.3Å resolution

Calmodulin complexed with N-(3,3,-diphenylpropyl)-N'-[1-R-(3,4-bis-butoxyphenyl)-ethyl]-propylenediamine (DPD)

Released:
DOI: 10.2210/pdb1qiw/pdb
PDB entry 1qiw coloured by chain, front view.
PDB entry 1qiw coloured by chain, side view.
PDB entry 1qiw coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
A new potent calmodulin antagonist with arylalkylamine structure: crystallographic, spectroscopic and functional studies.
Harmat V, Böcskei Z, Náray-Szabó G, Bata I, Csutor AS, Hermecz I, Arányi P, Szabó B, Liliom K, Vértessy BG, Ovádi J
J Mol Biol 297 747-55 (2000)
PMID: 10731425

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158581 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Calmodulin Chains: A, B
Molecule details ›
Chains: A, B
Length: 148 amino acids
Theoretical weight: 16.72 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P62157 (Residues: 2-149; Coverage: 99%)
Gene names: CALM, CAM
Sequence domains: EF-hand domain pair
Structure domains: EF-hand

Ligands and Environments

2 bound ligands:
Ligand CA 8 x CA
Ligand DPD 3 x DPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P1
Unit cell:
a: 41.96Å b: 56.2Å c: 35.27Å
α: 99.52° β: 114.47° γ: 96.86°
R-values:
R R work R free
0.232 0.232 0.317

Quick links

Citations

22 citation in other articles

Crystal structure of a MARCKS peptide containing the calmodulin-binding domain in complex with Ca2+-calmodulin.
Yamauchi et al. (2003)
21 more

2 mentions without citation

Empagliflozin and Doxorubicin Synergistically Inhibit the Survival of Triple-Negative Breast Cancer Cells via Interfering with the mTOR Pathway and Inhibition of Calmodulin: In Vitro and Molecular Docking Studies.
Eliaa et al. (2020)
1 more