5hcv

X-ray diffraction
2.5Å resolution

Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists

Released:

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-140040 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mineralocorticoid receptor Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 257 amino acids
Theoretical weight: 29.87 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P08235 (Residues: 732-984; Coverage: 26%)
Gene names: MCR, MLR, NR3C2
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P31
Unit cell:
a: 121.501Å b: 121.501Å c: 44.406Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.174 0.17 0.256
Expression system: Escherichia coli BL21(DE3)