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PDBsum entry 3k1w

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protein ligands metals Protein-protein interface(s) links
Hydrolase PDB id
3k1w
Jmol
Contents
Protein chain
333 a.a. *
Ligands
BFX ×2
FMT ×2
NDG
HSQ
Metals
_CL
Waters ×627
* Residue conservation analysis
PDB id:
3k1w
Name: Hydrolase
Title: New classes of potent and bioavailable human renin inhibitors
Structure: Renin. Chain: a, b. Synonym: angiotensinogenase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: homo sapiens. Expression_system_taxid: 9606. Expression_system_cell_line: cho cell
Resolution:
1.50Å     R-factor:   0.200     R-free:   0.233
Authors: L.Prade
Key ref: L.Remen et al. (2009). New classes of potent and bioavailable human renin inhibitors. Bioorg Med Chem Lett, 19, 6762-6765. PubMed id: 19853442
Date:
29-Sep-09     Release date:   02-Mar-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P00797  (RENI_HUMAN) -  Renin
Seq:
Struc:
406 a.a.
333 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  

 

 
Bioorg Med Chem Lett 19:6762-6765 (2009)
PubMed id: 19853442  
 
 
New classes of potent and bioavailable human renin inhibitors.
L.Remen, O.Bezençon, S.Richard-Bildstein, D.Bur, L.Prade, O.Corminboeuf, C.Boss, C.Grisostomi, T.Sifferlen, P.Strickner, P.Hess, S.Delahaye, A.Treiber, T.Weller, C.Binkert, B.Steiner, W.Fischli.
 
  ABSTRACT  
 
New classes of de novo designed renin inhibitors are reported. Some of these compounds display excellent in vitro and in vivo activities toward human renin in a TGR model. The synthesis of these new types of mono- and bicyclic scaffolds are reported, and properties of selected compounds discussed.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21376648 A.H.Al-Nadaf, and M.O.Taha (2011).
Discovery of new renin inhibitory leads via sequential pharmacophore modeling, QSAR analysis, in silico screening and in vitro evaluation.
  J Mol Graph Model, 29, 843-864.  
21429746 R.Aspiotis, A.Chen, E.Cauchon, D.Dubé, J.P.Falgueyret, S.Gagné, M.Gallant, E.L.Grimm, R.Houle, H.Juteau, P.Lacombe, S.Laliberté, J.F.Lévesque, D.MacDonald, D.McKay, M.D.Percival, P.Roy, S.M.Soisson, and T.Wu (2011).
The discovery and synthesis of potent zwitterionic inhibitors of renin.
  Bioorg Med Chem Lett, 21, 2430-2436.  
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