› 7oqa

X-ray diffraction
1.8Å resolution

Ternary complex of 14-3-3 sigma, Pin1pS72 phosphopeptide, and WQ162

Released:
DOI: 10.2210/pdb7oqa/pdb
PDB entry 7oqa coloured by chain, front view.
PDB entry 7oqa coloured by chain, side view.
PDB entry 7oqa coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Centorrino F, Ottmann C

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
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: 253 amino acids
Theoretical weight: 28.23 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P31947 (Residues: 1-248; Coverage: 100%)
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:
Ligand 09W 2 x 09W
Ligand CL 1 x CL
2 modified residues:
Ligand CSO 1 x CSO
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-003
Spacegroup: C2221
Unit cell:
a: 82.746Å b: 111.499Å c: 62.376Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.165 0.213
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

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