› 2wfi

X-ray diffraction
0.75Å resolution

Atomic resolution crystal structure of the PPIase domain of human cyclophilin G

Released:
DOI: 10.2210/pdb2wfi/pdb
PDB entry 2wfi coloured by chain, front view.
PDB entry 2wfi coloured by chain, side view.
PDB entry 2wfi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The thermodynamic influence of trapped water molecules on a protein-ligand interaction.
Stegmann CM, Seeliger D, Sheldrick GM, de Groot BL, Wahl MC
Angew Chem Int Ed Engl 48 5207-10 (2009)
PMID: 19499554

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171685 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidyl-prolyl cis-trans isomerase G Chain: A
Molecule details ›
Chain: A
Length: 179 amino acids
Theoretical weight: 19.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13427 (Residues: 1-177; Coverage: 24%)
Gene name: PPIG
Sequence domains: Cyclophilin type peptidyl-prolyl cis-trans isomerase/CLD
Structure domains: Cyclophilin-like

Ligands and Environments

1 bound ligand:
Ligand MG 2 x MG
1 modified residue:
Ligand OCS 1 x OCS

Experiments and Validation Details

Entry percentile scores
X-ray source: MPG/DESY, HAMBURG BEAMLINE BW6
Spacegroup: P212121
Unit cell:
a: 37.544Å b: 65.144Å c: 69.68Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.107 not available 0.124
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description.
Spyrakis et al. (2015)
1 more

5 mentions without citation

Structural and Functional Insights into Human Nuclear Cyclophilins.
Rajiv et al. (2018)
4 more