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

X-ray diffraction
2Å resolution
PDB entry 3g6z coloured by chain, front view.
PDB entry 3g6z coloured by chain, side view.
PDB entry 3g6z 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
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Assembly Name: Renin
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Multimeric state: monomeric
Accessible surface area: 15381.39 Å2
Buried surface area: 395.68 Å2
Dissociation area: 72.47 Å2
Dissociation energy (ΔGdiss): -5.38 kcal/mol
Dissociation entropy (TΔSdiss): 2.93 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133565
Assembly 2 (preferred)
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Assembly Name: Renin
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Multimeric state: monomeric
Accessible surface area: 14719.21 Å2
Buried surface area: 252.79 Å2
Dissociation area: 126.4 Å2
Dissociation energy (ΔGdiss): -5.28 kcal/mol
Dissociation entropy (TΔSdiss): 2.96 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: 28650.15 Å2
Buried surface area: 2098.92 Å2
Dissociation area: 725.22 Å2
Dissociation energy (ΔGdiss): -1.72 kcal/mol
Dissociation entropy (TΔSdiss): 13.3 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133568

Macromolecules

Renin
Chains: A, B
Length: 341 amino acids
Theoretical weight: 37.41 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 3g6z, assembly 2, front view.
Renin in PDB entry 3g6z, assembly 2, side view.
Renin in PDB entry 3g6z, assembly 2, top view.
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