› › Structure analysis

6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors

X-ray diffraction
1.9Å resolution
PDB entry 3n4c coloured by chain, front view.
PDB entry 3n4c coloured by chain, side view.
PDB entry 3n4c 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
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Assembly Name: Cathepsin S
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Multimeric state: monomeric
Accessible surface area: 9674.9 Å2
Buried surface area: 236.73 Å2
Dissociation area: 118.36 Å2
Dissociation energy (ΔGdiss): -2.94 kcal/mol
Dissociation entropy (TΔSdiss): 0.24 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-150575
Assembly 2 (preferred)
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Assembly Name: Cathepsin S
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Multimeric state: monomeric
Accessible surface area: 9672.56 Å2
Buried surface area: 399.97 Å2
Dissociation area: 121.19 Å2
Dissociation energy (ΔGdiss): -2.55 kcal/mol
Dissociation entropy (TΔSdiss): 0.23 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-150575

Macromolecules

Cathepsin S
Chains: A, B
Length: 217 amino acids
Theoretical weight: 24.01 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P25774 (Residues: 115-331; Coverage: 69%)
Gene name: CTSS
Pfam: Papain family cysteine protease
InterPro:
CATH: Cysteine proteinases
Cathepsin S in PDB entry 3n4c, assembly 2, front view.
Cathepsin S in PDB entry 3n4c, assembly 2, side view.
Cathepsin S in PDB entry 3n4c, assembly 2, top view.
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