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PDBsum entry 3q3t

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protein ligands Protein-protein interface(s) links
Hydrolase/hydrolase inhibitor PDB id
3q3t
Jmol
Contents
Protein chain
337 a.a.
Ligands
RX0 ×2
NAG-NAG
GOL ×2
NAG
Waters ×140
PDB id:
3q3t
Name: Hydrolase/hydrolase inhibitor
Title: Alkyl amine renin inhibitors: filling s1 from s3
Structure: Renin. Chain: a, b. Fragment: unp residues 67-406. Synonym: angiotensinogenase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: ren, renin. Expressed in: homo sapiens. Expression_system_taxid: 9606.
Resolution:
2.60Å     R-factor:   0.204     R-free:   0.268
Authors: Z.Wu,B.Mckeever
Key ref: J.Yuan et al. (2011). Biphenyl/diphenyl ether renin inhibitors: filling the S1 pocket of renin via the S3 pocket. Bioorg Med Chem Lett, 21, 4836-4843. PubMed id: 21741239
Date:
22-Dec-10     Release date:   03-Aug-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P00797  (RENI_HUMAN) -  Renin
Seq:
Struc:
406 a.a.
337 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 21:4836-4843 (2011)
PubMed id: 21741239  
 
 
Biphenyl/diphenyl ether renin inhibitors: filling the S1 pocket of renin via the S3 pocket.
J.Yuan, R.D.Simpson, W.Zhao, C.M.Tice, Z.Xu, S.Cacatian, L.Jia, P.T.Flaherty, J.Guo, A.Ishchenko, Z.Wu, B.M.McKeever, B.B.Scott, Y.Bukhtiyarov, J.Berbaum, R.Panemangalore, R.Bentley, C.P.Doe, R.K.Harrison, G.M.McGeehan, S.B.Singh, L.W.Dillard, J.J.Baldwin, D.A.Claremon.
 
  ABSTRACT  
 
No abstract given.