› 4rjd

X-ray diffraction
2Å resolution

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

Released:
DOI: 10.2210/pdb4rjd/pdb
PDB 4rjd coloured by chain and viewed from the front.
PDB 4rjd coloured by chain and viewed from the side.
PDB 4rjd coloured by chain and viewed from the top.
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)
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)

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Citations

1 review citation

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