› 4txe

X-ray diffraction
1.8Å resolution

ScCTS1 in complex with compound 5

Released:
DOI: 10.2210/pdb4txe/pdb
PDB entry 4txe coloured by chain, front view.
PDB entry 4txe coloured by chain, side view.
PDB entry 4txe coloured by chain, top view.
Source organism: Saccharomyces cerevisiae
Primary publication:
Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors.
Lockhart DE, Schuettelkopf A, Blair DE, van Aalten DM
FEBS Lett 588 3282-90 (2014)
PMID: 25063338

Function and Biology Details

Reaction catalysed: 
Random endo-hydrolysis of N-acetyl-beta-D-glucosaminide (1->4)-beta-linkages in chitin and chitodextrins
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151330 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endochitinase Chain: A
Molecule details ›
Chain: A
Length: 294 amino acids
Theoretical weight: 31.53 KDa
Source organism: Saccharomyces cerevisiae
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P29029 (Residues: 22-315; Coverage: 54%)
Gene names: CTS1, L8003.13, SCW2, YLR286C
Sequence domains: Glycosyl hydrolases family 18
Structure domains: Glycosidases

Ligands and Environments

1 bound ligand:
Ligand 38F 1 x 38F
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21212
Unit cell:
a: 72.773Å b: 112.159Å c: 37.164Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.161 0.191
Expression system: Komagataella pastoris

Quick links

Citations

1 review citation

The Mechanistic Targets of Antifungal Agents: An Overview.
Mazu et al. (2016)
5 other articles

5 mentions without citation

Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors.
Lockhart et al. (2014)
4 more