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Solution NMR

Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei complexed with 1-{[(4-methylphenyl)thio]acetyl}piperidine

Released:
DOI: 10.2210/pdb2l2s/pdb
PDB entry 2l2s coloured by chain, ensemble of 20 models, front view.
PDB entry 2l2s coloured by chain, ensemble of 20 models, side view.
PDB entry 2l2s coloured by chain, ensemble of 20 models, top view.
Source organism: Burkholderia pseudomallei
Entry authors: Zheng S, Barnwal R, Leeper T, Varani G, Seattle Structural Genomics Center for Infectious Disease (SSGCID)

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174636 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidyl-prolyl cis-trans isomerase Chain: A
Molecule details ›
Chain: A
Length: 117 amino acids
Theoretical weight: 12.24 KDa
Source organism: Burkholderia pseudomallei
Expression system: Escherichia coli
UniProt:
  • Canonical: Q3JK38 (Residues: 1-113; Coverage: 100%)
Gene name: BURPS1710b_A0907
Sequence domains: FKBP-type peptidyl-prolyl cis-trans isomerase
Structure domains: Chitinase A; domain 3

Ligands and Environments

1 bound ligand:
Ligand L2S 1 x L2S
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 83%
Refinement method: torsion angle dynamics
Expression system: Escherichia coli

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