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X-Ray structure of a CypA-Alisporivir complex at 1.5 angstrom resolution

X-ray diffraction
1.5Å resolution
PDB entry 5hsv coloured by chain, front view.
PDB entry 5hsv coloured by chain, side view.
PDB entry 5hsv coloured by chain, top view.
Source organisms:
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Peptidyl-prolyl cis-trans isomerase A and peptide
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Multimeric state: hetero dimer
Accessible surface area: 7693.83 Å2
Buried surface area: 1113.56 Å2
Dissociation area: 502.53 Å2
Dissociation energy (ΔGdiss): 3.11 kcal/mol
Dissociation entropy (TΔSdiss): 7.13 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-158808
Assembly 2
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Assembly Name: Peptidyl-prolyl cis-trans isomerase A and peptide
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Multimeric state: hetero dimer
Accessible surface area: 7625.84 Å2
Buried surface area: 1265.72 Å2
Dissociation area: 504.69 Å2
Dissociation energy (ΔGdiss): 3.28 kcal/mol
Dissociation entropy (TΔSdiss): 7.13 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-158808
Assembly 3
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Assembly Name: Peptidyl-prolyl cis-trans isomerase A and peptide
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Multimeric state: hetero dimer
Accessible surface area: 7711.28 Å2
Buried surface area: 1183.34 Å2
Dissociation area: 526.18 Å2
Dissociation energy (ΔGdiss): 5.64 kcal/mol
Dissociation entropy (TΔSdiss): 7.13 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-158808
Assembly 4
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Assembly Name: Peptidyl-prolyl cis-trans isomerase A and peptide
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Multimeric state: hetero dimer
Accessible surface area: 7761.15 Å2
Buried surface area: 1017.74 Å2
Dissociation area: 508.87 Å2
Dissociation energy (ΔGdiss): 3.13 kcal/mol
Dissociation entropy (TΔSdiss): 7.13 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-158808

Macromolecules

Peptidyl-prolyl cis-trans isomerase A
Chains: A, B, C, D
Length: 168 amino acids
Theoretical weight: 18.32 KDa
Source organism: Chlorocebus aethiops
Expression system: Escherichia coli
UniProt:
  • Canonical: P62938 (Residues: 1-165; Coverage: 100%)
Gene names: CYPA, PPIA
Pfam: Cyclophilin type peptidyl-prolyl cis-trans isomerase/CLD
InterPro:
CATH: Cyclophilin-like
Peptidyl-prolyl cis-trans isomerase A in PDB entry 5hsv, assembly 1, front view.
Peptidyl-prolyl cis-trans isomerase A in PDB entry 5hsv, assembly 1, side view.
Peptidyl-prolyl cis-trans isomerase A in PDB entry 5hsv, assembly 1, top view.
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Alisporivir
Chains: E, F, G, H
Length: 11 amino acids
Theoretical weight: 1.23 KDa
Source organism: Tolypocladium inflatum
Expression system: Not provided
Alisporivir in PDB entry 5hsv, assembly 1, front view.
Alisporivir in PDB entry 5hsv, assembly 1, side view.
Alisporivir in PDB entry 5hsv, assembly 1, top view.
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