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Structure of e. coli cyclophilin B K163T mutant bound to n-acetyl-ala-ala-pro-ala-7-amino-4-methylcoumarin

X-ray diffraction
1.8Å resolution
PDB entry 1vai coloured by chain, front view.
PDB entry 1vai coloured by chain, side view.
PDB entry 1vai coloured by chain, top view.
Source organism: Escherichia coli
Assemblies composition:
monomeric
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1
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Assembly Name: Peptidyl-prolyl cis-trans isomerase A
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Multimeric state: monomeric
Accessible surface area: 7869.94 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-142738
Assembly 2 (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: 7308.6 Å2
Buried surface area: 1166.94 Å2
Dissociation area: 474.96 Å2
Dissociation energy (ΔGdiss): -0.69 kcal/mol
Dissociation entropy (TΔSdiss): 5.63 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-142740

Macromolecules

Peptidyl-prolyl cis-trans isomerase A
Chains: A, B
Length: 166 amino acids
Theoretical weight: 18.07 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AFL3 (Residues: 25-190; Coverage: 100%)
Gene names: JW3326, b3363, ppiA, rot, rotA
Pfam: Cyclophilin type peptidyl-prolyl cis-trans isomerase/CLD
InterPro:
CATH: Cyclophilin-like
SCOP: Cyclophilin (peptidylprolyl isomerase)
Peptidyl-prolyl cis-trans isomerase A in PDB entry 1vai, assembly 2, front view.
Peptidyl-prolyl cis-trans isomerase A in PDB entry 1vai, assembly 2, side view.
Peptidyl-prolyl cis-trans isomerase A in PDB entry 1vai, assembly 2, top view.
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(ACE)AAPA(MCM)
Chain: C
Length: 6 amino acids
Theoretical weight: 512 Da
Source organism: Escherichia coli
Expression system: Not provided
(ACE)AAPA(MCM) in PDB entry 1vai, assembly 2, front view.
(ACE)AAPA(MCM) in PDB entry 1vai, assembly 2, side view.
(ACE)AAPA(MCM) in PDB entry 1vai, assembly 2, top view.
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