› 3q6y

X-ray diffraction
1.35Å resolution

Endothiapepsin in complex with a pyrrolidine based inhibitor

Released:
DOI: 10.2210/pdb3q6y/pdb
PDB entry 3q6y coloured by chain, front view.
PDB entry 3q6y coloured by chain, side view.
PDB entry 3q6y coloured by chain, top view.
Source organism: Cryphonectria parasitica
Entry authors: Koester H, Heine A, Klebe G

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins with specificity similar to that of pepsin A, prefers hydrophobic residues at P1 and P1', but does not cleave 14-Ala-|-Leu-15 in the B chain of insulin or Z-Glu-Tyr. Clots milk.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145946 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endothiapepsin Chain: A
Molecule details ›
Chain: A
Length: 330 amino acids
Theoretical weight: 33.81 KDa
Source organism: Cryphonectria parasitica
UniProt:
  • Canonical: P11838 (Residues: 90-419; Coverage: 83%)
Gene names: EAPA, EPN-1
Sequence domains: Eukaryotic aspartyl protease
Structure domains: Acid Proteases

Ligands and Environments

4 bound ligands:
Ligand DMS 1 x DMS
Ligand S47 1 x S47
Ligand GOL 2 x GOL
Ligand 1PE 1 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 45.36Å b: 72.79Å c: 51.79Å
α: 90° β: 108.6° γ: 90°
R-values:
R R work R free
0.167 0.166 0.184

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