› 5ncq

X-ray diffraction
3Å resolution

Structure of the (SR) Ca2+-ATPase bound to a Tetrahydrocarbazole and TNP-ATP

Released:
DOI: 10.2210/pdb5ncq/pdb
PDB entry 5ncq coloured by chain, front view.
PDB entry 5ncq coloured by chain, side view.
PDB entry 5ncq coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
Tetrahydrocarbazoles are a novel class of potent P-type ATPase inhibitors with antifungal activity.
Bublitz M, Kjellerup L, Cohrt KO, Gordon S, Mortensen AL, Clausen JD, Pallin TD, Hansen JB, Fuglsang AT, Dalby-Brown W, Winther AL
PLoS One 13 e0188620 (2018)
PMID: 29293507

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:
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 Chain: A
Molecule details ›
Chain: A
Length: 994 amino acids
Theoretical weight: 109.6 KDa
Source organism: Oryctolagus cuniculus
UniProt:
  • Canonical: P04191 (Residues: 1-993; Coverage: 99%)
Gene name: ATP2A1
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand 128 1 x 128
Ligand K 1 x K
Ligand PCW 2 x PCW
Ligand 8T8 1 x 8T8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21212
Unit cell:
a: 125.62Å b: 224.63Å c: 57.05Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.213 0.267

Quick links

Citations

2 review citations

Endoplasmic Reticulum Calcium Pumps and Tumor Cell Differentiation.
Papp et al. (2020)
1 more

4 mentions without citation

Linking Biochemical and Structural States of SERCA: Achievements, Challenges, and New Opportunities.
Aguayo-Ortiz et al. (2020)
3 more