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Crystal structure of renin in complex with NVP-BCA079 (compound 12a)

X-ray diffraction
2.8Å resolution
PDB entry 4gj7 coloured by chain, front view.
PDB entry 4gj7 coloured by chain, side view.
PDB entry 4gj7 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
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: 14339.89 Å2
Buried surface area: 463.49 Å2
Dissociation area: 110.62 Å2
Dissociation energy (ΔGdiss): 19.13 kcal/mol
Dissociation entropy (TΔSdiss): 0.6 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: 14574.75 Å2
Buried surface area: 243.23 Å2
Dissociation area: 121.62 Å2
Dissociation energy (ΔGdiss): -5.96 kcal/mol
Dissociation entropy (TΔSdiss): 2.96 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-133565

Macromolecules

Renin
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
Renin in PDB entry 4gj7, assembly 1, front view.
Renin in PDB entry 4gj7, assembly 1, side view.
Renin in PDB entry 4gj7, assembly 1, top view.
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