› 5oa2

X-ray diffraction
2.15Å resolution

Crystal structure of ScGas2 in complex with compound 8

Released:
DOI: 10.2210/pdb5oa2/pdb
PDB entry 5oa2 coloured by chain, front view.
PDB entry 5oa2 coloured by chain, side view.
PDB entry 5oa2 coloured by chain, top view.
Source organism: Saccharomyces cerevisiae S288C
Primary publication:
Inhibitors against Fungal Cell Wall Remodeling Enzymes.
Delso I, Valero-Gonzalez J, Gomollón-Bel F, Castro-López J, Fang W, Navratilova I, van Aalten DMF, Tejero T, Merino P, Hurtado-Guerrero R
ChemMedChem 13 128-132 (2018)
PMID: 29164827

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170293 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
1,3-beta-glucanosyltransferase GAS2 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 555 amino acids
Theoretical weight: 62.43 KDa
Source organism: Saccharomyces cerevisiae S288C
Expression system: Komagataella pastoris
UniProt:
  • Canonical: Q06135 (Residues: 1-555; Coverage: 100%)
Gene names: GAS2, L8300.5, YLR343W
Sequence domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: BGC
Carbohydrate polymer
3 bound ligands:
Ligand EDO 39 x EDO
Ligand SO4 4 x SO4
Ligand 9PW 1 x 9PW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P212121
Unit cell:
a: 71.569Å b: 139.44Å c: 161.654Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.211 0.248
Expression system: Komagataella pastoris

Quick links

Citations

3 citation in other articles

Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Vogt et al. (2020)
2 more

1 mention without citation

Cytotoxic and Antifungal Amides Derived from Ferulic Acid: Molecular Docking and Mechanism of Action.
de Morais et al. (2021)