› 1epp

X-ray diffraction
1.9Å resolution

ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-130,693 (MAS PHE LYS+MTF STA MBA)

Released:
DOI: 10.2210/pdb1epp/pdb
PDB entry 1epp coloured by chain, front view.
PDB entry 1epp coloured by chain, side view.
PDB entry 1epp coloured by chain, top view.
Source organism: Cryphonectria parasitica
Primary publication:
Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors.
Lunney EA, Hamilton HW, Hodges JC, Kaltenbronn JS, Repine JT, Badasso M, Cooper JB, Dealwis C, Wallace BA, Lowther WT
J Med Chem 36 3809-20 (1993)
PMID: 8254610

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 domain:

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: E
Molecule details ›
Chain: E
Length: 330 amino acids
Theoretical weight: 33.81 KDa
Source organism: Cryphonectria parasitica
Expression system: Not provided
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

2 bound ligands:
Ligand SO4 2 x SO4
Ligand 1Z1 1 x 1Z1
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P21
Unit cell:
a: 43.1Å b: 75.6Å c: 42.9Å
α: 90° β: 97.2° γ: 90°
R-values:
R R work R free
0.16 not available not available
Expression system: Not provided

Quick links

Citations

9 citation in other articles

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.
Eldridge et al. (1997)
8 more

3 mentions without citation

Assessment of programs for ligand binding affinity prediction.
Kim et al. (2008)
2 more