› 3v1w

X-ray diffraction
1.91Å resolution

Molecular Basis for Multiple Ligand Binding of Calsequestrin and Potential Inhibition by Caffeine and Gallocatecin

Released:
DOI: 10.2210/pdb3v1w/pdb
PDB entry 3v1w coloured by chain, front view.
PDB entry 3v1w coloured by chain, side view.
PDB entry 3v1w coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Entry authors: Subramanian AK, Nissen MN, Lewis KM, Sanchez EJ, Muralidharan AK, Kang C

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-139435 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Calsequestrin-1 Chain: A
Molecule details ›
Chain: A
Length: 367 amino acids
Theoretical weight: 42.47 KDa
Source organism: Oryctolagus cuniculus
UniProt:
  • Canonical: P07221 (Residues: 29-395; Coverage: 100%)
Gene name: CASQ1
Sequence domains: Calsequestrin
Structure domains: Glutaredoxin

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
4 bound ligands:
Ligand MPD 2 x MPD
Ligand MRD 1 x MRD
Ligand CA 4 x CA
Ligand NA 2 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: C2221
Unit cell:
a: 59.082Å b: 144.592Å c: 110.965Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.171 0.222

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