› 6vcv

X-ray diffraction
1.6Å resolution

Aspergillus fumigatus FKBP12 protein bound with APX879 in P1 space group

Released:
DOI: 10.2210/pdb6vcv/pdb
PDB entry 6vcv coloured by chain, front view.
PDB entry 6vcv coloured by chain, side view.
PDB entry 6vcv coloured by chain, top view.
Source organism: Aspergillus fumigatus Af293
Primary publication:
Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Gobeil SM, Bobay BG, Juvvadi PR, Cole DC, Heitman J, Steinbach WJ, Venters RA, Spicer LD
mBio 12 e0300021 (2021)
PMID: 34809463

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175829 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
FK506-binding protein 1A Chains: A, B
Molecule details ›
Chains: A, B
Length: 115 amino acids
Theoretical weight: 12.43 KDa
Source organism: Aspergillus fumigatus Af293
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q4WLV6 (Residues: 1-112; Coverage: 100%)
Gene names: AFUA_6G12170, fpr1A
Sequence domains: FKBP-type peptidyl-prolyl cis-trans isomerase

Ligands and Environments

1 bound ligand:
Ligand R27 2 x R27
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P1
Unit cell:
a: 35.562Å b: 39.62Å c: 40.771Å
α: 76.823° β: 89.918° γ: 85.744°
R-values:
R R work R free
0.179 0.176 0.214
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

The role of Candida albicans stress response pathways in antifungal tolerance and resistance.
Iyer et al. (2022)
1 more

1 mention without citation

Leveraging Fungal and Human Calcineurin-Inhibitor Structures, Biophysical Data, and Dynamics To Design Selective and Nonimmunosuppressive FK506 Analogs.
Gobeil et al. (2021)