8c2g

X-ray diffraction
1.6Å resolution

14-3-3 sigma with Pin1 binding site pS72 and covalently bound CV1040

Released:

Function and Biology Details

Reaction catalysed:
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Cellular component:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-152157 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
14-3-3 protein sigma Chain: A
Molecule details ›
Chain: A
Length: 236 amino acids
Theoretical weight: 26.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P31947 (Residues: 1-231; Coverage: 93%)
Gene names: HME1, SFN
Sequence domains: 14-3-3 protein
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Chain: P
Molecule details ›
Chain: P
Length: 17 amino acids
Theoretical weight: 2.2 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q13526 (Residues: 61-77; Coverage: 10%)
Gene name: PIN1

Ligands and Environments

2 bound ligands:
2 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: C2221
Unit cell:
a: 82.155Å b: 111.817Å c: 62.682Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.179 0.186
Expression systems:
  • Escherichia coli
  • Not provided