› 2by4

X-ray diffraction
3.3Å resolution

SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT.

Released:
DOI: 10.2210/pdb2by4/pdb
PDB entry 2by4 coloured by chain, front view.
PDB entry 2by4 coloured by chain, side view.
PDB entry 2by4 coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
Natural products as starting materials for development of second-generation SERCA inhibitors targeted towards prostate cancer cells.
Søhoel H, Jensen AM, Møller JV, Nissen P, Denmeade SR, Isaacs JT, Olsen CE, Christensen SB
Bioorg Med Chem 14 2810-5 (2006)
PMID: 16412648

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O + Ca(2+)(Side 1) = ADP + phosphate + Ca(2+)(Side 2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137501 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:

Ligands and Environments

4 bound ligands:
Ligand AD4 1 x AD4
Ligand ACP 1 x ACP
Ligand MG 2 x MG
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P41212
Unit cell:
a: 71.739Å b: 71.739Å c: 593.656Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.254 0.254 0.314

Quick links

Citations

19 review citations

The sarcoplasmic Ca2+-ATPase: design of a perfect chemi-osmotic pump.
Møller et al. (2010)
18 more

1 mention without citation

Cyclopiazonic acid is complexed to a divalent metal ion when bound to the sarcoplasmic reticulum Ca2+-ATPase.
Laursen et al. (2009)