› 5hwc

X-ray diffraction
2.05Å resolution

Aspergillus fumigatus FKBP12 P90G protein bound with FK506 in P212121 space group

Released:
DOI: 10.2210/pdb5hwc/pdb
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Source organism: Aspergillus fumigatus Af293
Primary publication:
Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Tonthat NK, Juvvadi PR, Zhang H, Lee SC, Venters R, Spicer L, Steinbach WJ, Heitman J, Schumacher MA
OpenAccess logo mBio 7 e00492-16 (2016)
PMID: 27118592

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 Chain: A
Molecule details ›
Chain: A
Length: 115 amino acids
Theoretical weight: 12.39 KDa
Source organism: Aspergillus fumigatus Af293
Expression system: Escherichia coli
UniProt:
  • Canonical: Q4WLV6 (Residues: 1-112; Coverage: 100%)
Gene names: AFUA_6G12170, fpr1A
Sequence domains: FKBP-type peptidyl-prolyl cis-trans isomerase
Structure domains: Chitinase A; domain 3

Ligands and Environments

1 bound ligand:
Ligand FK5 1 x FK5
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 37.01Å b: 51.138Å c: 55.592Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.165 0.226
Expression system: Escherichia coli

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Citations

6 review citations

Calcineurin in fungal virulence and drug resistance: Prospects for harnessing targeted inhibition of calcineurin for an antifungal therapeutic approach.
Juvvadi et al. (2017)
5 more

5 mentions without citation

In Vitro and In Vivo Assessment of FK506 Analogs as Novel Antifungal Drug Candidates.
Lee et al. (2018)
4 more

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