Brand  (β version)

PDB ID: 4GJB

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Ligands
Code Name Style Show Link
0ME (3s)-N-(9h-xanthen-9-ylmethyl)piperidine-3-carboxamide PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose
Modification
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Structure summary

Code : 4GJB   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of renin in complex with NVP-BBV031 (compound 6)
Release Data : 2013-02-13
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, fragment based screening, 3, 5-disubstituted piperidines, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.75 Å )
Citation :

A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.

Ostermann, N.,Ruedisser, S.,Ehrhardt, C.  et al.
(2013)  J.Med.Chem.  56 : 2196 - 2206

PubMed: 23360239
DOI: 10.1021/jm301706j

Reaction

Chain : A, B
UniProt : P00797 (RENI_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
Cleavage of Leu-|-Xaa bond in angiotensinogen to generate angiotensin I. 3.4.23.15 PubMed:12045255, PubMed:20927107
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