› 5qy2

X-ray diffraction
1.36Å resolution

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry A12b

Released:
DOI: 10.2210/pdb5qy2/pdb
PDB entry 5qy2 coloured by chain, front view.
PDB entry 5qy2 coloured by chain, side view.
PDB entry 5qy2 coloured by chain, top view.
Source organism: Saccharomyces cerevisiae S288C
Primary publication:
F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Wollenhaupt J, Metz A, Barthel T, Lima GMA, Heine A, Mueller U, Klebe G, Weiss MS
Structure 28 694-706.e5 (2020)
PMID: 32413289

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152275 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Pre-mRNA-splicing factor 8 Chain: A
Molecule details ›
Chain: A
Length: 258 amino acids
Theoretical weight: 29.5 KDa
Source organism: Saccharomyces cerevisiae S288C
Expression system: Escherichia coli
UniProt:
  • Canonical: P33334 (Residues: 1836-2090; Coverage: 11%)
Gene names: DBF3, DNA39, PRP8, RNA8, SLT21, USA2, YHR165C
Sequence domains: PRP8 domain IV core
A1 cistron-splicing factor AAR2 Chain: B
Molecule details ›
Chain: B
Length: 308 amino acids
Theoretical weight: 36.21 KDa
Source organism: Saccharomyces cerevisiae S288C
Expression system: Escherichia coli
UniProt:
  • Canonical: P32357 (Residues: 1-152, 171-317; Coverage: 84%)
Gene names: AAR2, YBL06.06, YBL0611, YBL074C
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand SO4 4 x SO4
Ligand PGR 3 x PGR
Ligand TJ1 1 x TJ1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX IV BEAMLINE BioMAX
Spacegroup: C2
Unit cell:
a: 88.522Å b: 82.031Å c: 93.961Å
α: 90° β: 108.83° γ: 90°
R-values:
R R work R free
0.218 0.217 0.218
Expression system: Escherichia coli

Quick links

Citations

1 review citation

A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process.
Noske et al. (2021)
15 other articles