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PDBsum entry 1y3w
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protein ligands metals links
Hydrolase PDB id
1y3w

 

 

 

 

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Contents
Protein chain
223 a.a. *
Ligands
UIP
Metals
_CA
Waters ×107
* Residue conservation analysis
PDB id:
1y3w
Name: Hydrolase
Title: Trypsin inhibitor complex
Structure: Trypsinogen, cationic. Chain: a. Synonym: beta-trypsin, fragment. Ec: 3.4.21.4
Source: Bos taurus. Cattle. Organism_taxid: 9913. Tissue: blood
Resolution:
1.80Å     R-factor:   0.178     R-free:   0.242
Authors: J.Fokkens,G.Klebe
Key ref: J.Fokkens and G.Klebe (2006). A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates. Angew Chem Int Ed Engl, 45, 985-989. PubMed id: 16374786
Date:
26-Nov-04     Release date:   06-Dec-05    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P00760  (TRY1_BOVIN) -  Serine protease 1 from Bos taurus
Seq:
Struc: 		246 a.a.
223 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.3.4.21.4  - trypsin.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Preferential cleavage: Arg-|-Xaa, Lys-|-Xaa.

 

 
Angew Chem Int Ed Engl 45:985-989 (2006)
PubMed id: 16374786  
 
 
A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates.
J.Fokkens, G.Klebe.
 
  ABSTRACT  
 
No abstract given.

 

Literature references that cite this PDB file's key reference

  PubMed id Reference
20148287 O.Nicolotti, I.Giangreco, T.F.Miscioscia, M.Convertino, F.Leonetti, L.Pisani, and A.Carotti (2010).
Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model.
  J Comput Aided Mol Des, 24, 117-129.  
19672908 J.H.Park, H.J.Ha, W.K.Lee, T.Généreux-Vincent, and R.J.Kazlauskas (2009).
Molecular basis for the stereoselective ammoniolysis of N-alkyl aziridine-2-carboxylates catalyzed by Candida antarctica lipase B.
  Chembiochem, 10, 2213-2222.  
18498103 D.C.Bas, D.M.Rogers, and J.H.Jensen (2008).
Very fast prediction and rationalization of pKa values for protein-ligand complexes.
  Proteins, 73, 765-783.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.

 

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