Het-PDB Navi2 (PDB: 3PRS)

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Data format:

Color scheme of protein:

Ligands
Code	Name	Link
1PE	Pentaethylene glycol	PoSSuM
DMS	Dimethyl sulfoxide	PoSSuM
GOL	Glycerol	PoSSuM
PGE	Triethylene glycol	PoSSuM
RIT	Ritonavir	PoSSuM

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Download interaction data: 3PRS

Code :

3PRS PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

Endothiapepsin in complex with ritonavir

Release Data :

2011-10-26

Compound :

mol_id	molecule	chains	synonym
1	Endothiapepsin	A	Aspartate protease
	ec: 3.4.23.22

Source :

mol_id	organism_scientific	organism_common
1	Cryphonectria parasitica (taxid:5116)	Chesnut blight fungus

Authors :

Koester, H., Heine, A., Klebe, G.

Keywords :

HYDROLASE-HYDROLASE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.38 Å )

Citation :

Experimental and computational active site mapping as a starting point to fragment-based lead discovery.

Behnen, J.,Koster, H.,Neudert, G. et al.
(2012) Chemmedchem 7 : 248 - 261

PDB ID: 3PRS