Het-PDB Navi2 (PDB: 4GJ7)

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Ligands
Code	Name		Style	Show	Link
0LT	N-{[(3s,4s)-4-benzylpyrrolidin-3-yl]methyl}-4-methoxy-3-(3-methoxypropoxy)-N-(propan-2-yl)benzamide				PoSSuM
SO4	Sulfate ion				PoSSuM

Non-standard Residues
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Glycosylation
Code	Name	Emphasize
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose

Modification
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Download interaction data: 4GJ7

Code :

4GJ7 PDBj RCSB PDB PDBe

Header :

HYDROLASE/HYDROLASE INHIBITOR

Title :

Crystal structure of renin in complex with NVP-BCA079 (compound 12a)

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 ( 2.80 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:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
Cleavage of Leu-\|-Xaa bond in angiotensinogen to generate angiotensin I.	3.4.23.15	PubMed:12045255, PubMed:20927107
	-	PubMed:12045255, PubMed:20927107

PDB ID: 4GJ7

Hetero Atom Contents

Structure summary

Reaction