Structure analysis

New Classes of Potent and Bioavailable Human Renin Inhibitors

X-ray diffraction
1.5Å resolution
Source organism: Homo sapiens
Assemblies composition:
monomeric
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1
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Multimeric state: monomeric
Accessible surface area: 14500 Å2
Buried surface area: 1500 Å2
Dissociation area: 100 Å2
Dissociation energy (ΔGdiss): 2 kcal/mol
Dissociation entropy (TΔSdiss): -1 kcal/mol
Interface energy (ΔGint): 2 kcal/mol
Symmetry number: 1
Assembly 2
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Multimeric state: monomeric
Accessible surface area: 14800 Å2
Buried surface area: 1700 Å2
Dissociation area: 100 Å2
Dissociation energy (ΔGdiss): 2 kcal/mol
Dissociation entropy (TΔSdiss): -1 kcal/mol
Interface energy (ΔGint): -9 kcal/mol
Symmetry number: 1
Assembly 3 (preferred)
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Multimeric state: homo dimer
Accessible surface area: 27900 Å2
Buried surface area: 4700 Å2
Dissociation area: 750 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 13 kcal/mol
Interface energy (ΔGint): -15 kcal/mol
Symmetry number: 1

Macromolecules

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

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