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Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors

X-ray diffraction
1.9Å resolution
PDB entry 3g72 coloured by chain, front view.
PDB entry 3g72 coloured by chain, side view.
PDB entry 3g72 coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Renin
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Multimeric state: monomeric
Accessible surface area: 14203.87 Å2
Buried surface area: 499.34 Å2
Dissociation area: 123.15 Å2
Dissociation energy (ΔGdiss): -3.8 kcal/mol
Dissociation entropy (TΔSdiss): 0.23 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133565
Assembly 2
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Assembly Name: Renin
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Multimeric state: monomeric
Accessible surface area: 14493.33 Å2
Buried surface area: 496.77 Å2
Dissociation area: 125.19 Å2
Dissociation energy (ΔGdiss): -3.77 kcal/mol
Dissociation entropy (TΔSdiss): 0.22 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133565
Assembly 3
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Assembly Name: Renin
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Multimeric state: homo dimer
Accessible surface area: 27077.6 Å2
Buried surface area: 2615.71 Å2
Dissociation area: 809.8 Å2
Dissociation energy (ΔGdiss): 0.49 kcal/mol
Dissociation entropy (TΔSdiss): 13.29 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133568

Macromolecules

Renin
Chains: A, B
Length: 340 amino acids
Theoretical weight: 37.27 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P00797 (Residues: 67-406; Coverage: 89%)
Gene name: REN
Pfam: Eukaryotic aspartyl protease
InterPro:
CATH: Acid Proteases
Renin in PDB entry 3g72, assembly 1, front view.
Renin in PDB entry 3g72, assembly 1, side view.
Renin in PDB entry 3g72, assembly 1, top view.
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