› 4rjd

X-ray diffraction
2Å resolution

TFP bound in alternate orientations to calcium-saturated Calmodulin C-Domains

Released:
DOI: 10.2210/pdb4rjd/pdb
PDB entry 4rjd coloured by chain, front view.
PDB entry 4rjd coloured by chain, side view.
PDB entry 4rjd coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Opposing orientations of the anti-psychotic drug trifluoperazine selected by alternate conformations of M144 in calmodulin.
Feldkamp MD, Gakhar L, Pandey N, Shea MA
Proteins 83 989-96 (2015)
PMID: 25694384

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-144023 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Calmodulin-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 66 amino acids
Theoretical weight: 7.61 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0DP29 (Residues: 83-148; Coverage: 44%)
Gene names: CaMI, Calm, Calm1, Cam, Cam1
Sequence domains: EF-hand domain pair

Ligands and Environments

6 bound ligands:
Ligand CA 4 x CA
Ligand TFP 4 x TFP
Ligand 1PE 1 x 1PE
Ligand CL 2 x CL
Ligand OXL 1 x OXL
Ligand SCN 1 x SCN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P21
Unit cell:
a: 24.606Å b: 85.637Å c: 35.341Å
α: 90° β: 93° γ: 90°
R-values:
R R work R free
0.181 0.177 0.253
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

S100 proteins as therapeutic targets.
Bresnick AR. (2018)
3 other articles

3 mentions without citation

Structural basis and energy landscape for the Ca2+ gating and calmodulation of the Kv7.2 K+ channel.
Bernardo-Seisdedos et al. (2018)
2 more