Brand  (β version)

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centroid:
interaction residue:

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Ligands
Code Name Link
0LR (3r,4r)-3-(naphthalen-2-ylmethoxy)-4-phenylpiperidine
NAG N-acetyl-D-glucosamine
Code : 4GJ5
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of renin in complex with NVP-AMQ838 (compound 5)
Release Data : 2013-03-06
Compound :
mol_id molecule chains synonym
1 Renin A,B Angiotensinogenase
ec: 3.4.23.15
fragment: UNP residues 67-406
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Cricetulus griseus  (taxid:10029)
gene: REN
expression_system_common: Chinese hamster
Authors : Ostermann, N., Zink, F., Kroemer, M.
Keywords : renin inhibitor, pharmacophore search, trans-3, 4-disubstituted pyrrolidine, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.40 Å )
Citation :

The Discovery of Novel Potent trans-3,4-Disubstituted Pyrrolidine Inhibitors of the Human Aspartic Protease Renin from in Silico Three-Dimensional (3D) Pharmacophore Searches.

Lorthiois, E.,Breitenstein, W.,Cumin, F.  et al.
(2013)  J.Med.Chem.  56 : 2207 - 2217

PubMed: 23425156
DOI: 10.1021/jm3017078

Chain : A, B
UniProt : P00797 (RENI_HUMAN)
Reaction : Cleavage of Leu-|-Xaa bond in angiotensinogen to generate angiotensin I.