Structure analysis

Crystal structure of renin in complex with NVP-AYZ832 (compound 6a)

X-ray diffraction
2.58Å resolution
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1
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Multimeric state: monomeric
Accessible surface area: 14700 Å2
Buried surface area: 2200 Å2
Dissociation area: 500 Å2
Dissociation energy (ΔGdiss): -4 kcal/mol
Dissociation entropy (TΔSdiss): 5 kcal/mol
Interface energy (ΔGint): -16 kcal/mol
Symmetry number: 1
Assembly 2 (preferred)
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Multimeric state: monomeric
Accessible surface area: 14300 Å2
Buried surface area: 2500 Å2
Dissociation area: 500 Å2
Dissociation energy (ΔGdiss): -3 kcal/mol
Dissociation entropy (TΔSdiss): 5 kcal/mol
Interface energy (ΔGint): -36 kcal/mol
Symmetry number: 1

Macromolecules

Chains: A, B
Length: 340 amino acids
Theoretical weight: 37.27 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P00797 (Residues: 67-406; Coverage: 89%)
Gene name: REN
Pfam: Eukaryotic aspartyl protease
InterPro:
CATH: Acid Proteases

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