8P3C: Peptidyl-prolyl cis-trans isomerase

Full length structure of BpMIP with bound inhibitor NJS227. Determined by X-ray diffraction at 2.02 Å resolution. Released 12 Jun 2024.

Method
X-ray diffraction
Resolution
2.02 Å
Organism
Burkholderia pseudomallei
Chains
1
Atoms
1,099
Mol. weight
14.47 kDa
Ligands
WRX
Released
12 Jun 2024

Explore 8P3C in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8P3C contains 6 α-helices and 11 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain B: 6 helices, 11 β-strands

ElementResiduesLengthSheet
α-helix-6--34
β-strand4-521
β-strand11-1661
α-helix211
β-strand2212
α-helix231
β-strand28-37101
β-strand42-4541
β-strand53-5641
α-helix64-696
β-strand7412
β-strand78-8361
α-helix85-873
β-strand9413
β-strand9813
α-helix991
β-strand104-11291

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Peptidyl-prolyl cis-trans isomeraseBprotein126Burkholderia pseudomalleiQ63J95 (AlphaFold model)
Sequence of entity 1 (B), FASTA
>8P3C_1 Peptidyl-prolyl cis-trans isomerase (chains B)
MHHHHHHENLYFQGTVVTTESGLKYEDLTEGSGAEARAGQTVSVHYTGWLTDGQKFDSSK
DRNDPFAFVLGGGMVIKGWDEGVQGMKVGGVRRLTIPPQLGYGARGAGGVIPPNATLVFE
VELLDV

Ligands and cofactors

IDNameFormulaCopies
WRX(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-o…C28 H30 F2 N4 O4 S1

Water and common crystallization additives (PEG, GOL) are not listed.

Primary citation

Structure and Dynamics of Macrophage Infectivity Potentiator Proteins from Pathogenic Bacteria and Protozoans Bound to Fluorinated Pipecolic Acid Inhibitors. Perez Carrillo, V.H., Whittaker, J.J., Wiedemann, C. et al. J Med Chem (2025) 68:5926-5941. DOI 10.1021/acs.jmedchem.5c00134 · PubMed

Other PDB entries of the same protein (UniProt Q63J95 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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