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PDBsum entry 3vsw

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protein ligands Protein-protein interface(s) links
Hydrolase/hydrolase inhibitor PDB id
3vsw
Jmol
Contents
Protein chain
340 a.a.
Ligands
NAG ×2
R31 ×2
PDB id:
3vsw
Name: Hydrolase/hydrolase inhibitor
Title: Human renin in complex with compound 8
Structure: Renin. Chain: a, b. Synonym: angiotensinogenase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: ren. Expressed in: homo sapiens. Expression_system_taxid: 9606. Expression_system_cell_line: 293f.
Resolution:
3.00Å     R-factor:   0.235     R-free:   0.309
Authors: M.Takahashi,H.Hanzawa
Key ref: Y.Nakamura et al. (2012). Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors. Bioorg Med Chem Lett, 22, 4561-4566. PubMed id: 22726934 DOI: 10.1016/j.bmcl.2012.05.092
Date:
11-May-12     Release date:   25-Jul-12    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P00797  (RENI_HUMAN) -  Renin
Seq:
Struc:
406 a.a.
340 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.3.4.23.15  - Renin.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Cleaves Leu-|- bond in angiotensinogen to generate angiotensin I.
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     proteolysis   1 term 
  Biochemical function     aspartic-type endopeptidase activity     1 term  

 

 
DOI no: 10.1016/j.bmcl.2012.05.092 Bioorg Med Chem Lett 22:4561-4566 (2012)
PubMed id: 22726934  
 
 
Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors.
Y.Nakamura, C.Sugita, M.Meguro, S.Miyazaki, K.Tamaki, M.Takahashi, Y.Nagai, T.Nagayama, M.Kato, H.Suemune, T.Nishi.
 
  ABSTRACT  
 
No abstract given.