› 7lpq

X-ray diffraction
2.32Å resolution

Crystal structure of Cryptococcus neoformans sterylglucosidase 1 with hit 9

Released:
DOI: 10.2210/pdb7lpq/pdb
PDB entry 7lpq coloured by chain, front view.
PDB entry 7lpq coloured by chain, side view.
PDB entry 7lpq coloured by chain, top view.
Source organism: Cryptococcus neoformans var. grubii H99
Primary publication:
Structure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents.
Pereira de Sa N, Taouil A, Kim J, Clement T, Hoffmann RM, Burke JE, Rizzo RC, Ojima I, Del Poeta M, Airola MV
OpenAccess logo Nat Commun 12 5885 (2021)
PMID: 34620873

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-125445 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytoplasmic protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 797 amino acids
Theoretical weight: 89.2 KDa
Source organism: Cryptococcus neoformans var. grubii H99
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: J9W473 (Residues: 1-851; Coverage: 94%)
Gene name: CNAG_05607
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand YAJ 4 x YAJ
Ligand GOL 5 x GOL
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21
Unit cell:
a: 98.417Å b: 133.314Å c: 130.303Å
α: 90° β: 94.54° γ: 90°
R-values:
R R work R free
0.184 0.181 0.232
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Evidence-based capacity of natural cytochrome enzyme inhibitors to increase the effectivity of antineoplastic drugs.
Manthalkar et al. (2022)
1 more

2 mentions without citation

Structure and inhibition of Cryptococcus neoformans sterylglucosidase to develop antifungal agents.
Pereira de Sa et al. (2021)
1 more