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The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid

X-ray diffraction
1.3Å resolution
PDB entry 5diu coloured by chain, front view.
PDB entry 5diu coloured by chain, side view.
PDB entry 5diu 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: Peptidyl-prolyl cis-trans isomerase FKBP5
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Multimeric state: monomeric
Accessible surface area: 6962.03 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-171693

Macromolecules

Peptidyl-prolyl cis-trans isomerase FKBP5
Chain: A
Length: 128 amino acids
Theoretical weight: 14.03 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q13451 (Residues: 16-140; Coverage: 27%)
Gene names: AIG6, FKBP5, FKBP51
Pfam: FKBP-type peptidyl-prolyl cis-trans isomerase
InterPro:
CATH: Chitinase A; domain 3
Peptidyl-prolyl cis-trans isomerase FKBP5 in PDB entry 5diu, assembly 1, front view.
Peptidyl-prolyl cis-trans isomerase FKBP5 in PDB entry 5diu, assembly 1, side view.
Peptidyl-prolyl cis-trans isomerase FKBP5 in PDB entry 5diu, assembly 1, top view.
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