Re: [ccp4bb]: serine modification

[Kim Henrick <henrick@ebi.ac.uk>]

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try

  type NC(CO)C(O)=O in the 
 non-stereo smile box with the option (default)
  has substructure
 the search takes about 1 to 2 minutes
  and gives all ligands in the pdb
  with a serine fragment it gives 57 hits
 ( THREONINE of course will come up from this substructure search)
you will  get structures like
 O- BENZYLSULFONYL- SERINE
  PHOSPHOSERINE
  N- ACETYL- SERINE
  O- ACETYLSERINE
  L- ALPHA- GLYCEROPHOSPHORYLSERINE




Unfortunately there are systems problem at the EBI just at the
moment which should be fixed by midday tomorrow
so if www.ebi.ac.uk/msd-srv/chempdb/
fails to give an answer (this is a pointer into a server farm
we know that the farm member
  http://web6-node1.ebi.ac.uk/msd-srv/chempdb/ is working
  others are missbehaving


you could just web search 
http://msdlocal.ebi.ac.uk/docs/chem_comp/amino_acids_all.html
for serine

or look at
http://www.chem.qmul.ac.uk/iupac/AminoAcid/AA22.html

do the same smile search at

  http://131.188.127.153/services/ncidb2/index.html


this has the 230,000 NCI compounds

search sigma for serine with


  http://www.sigmaaldrich.com/



kim



On Thu, 29 Aug 2002, Klaas Decanniere wrote:

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> 
> 
> 
> Where could we find information on non-sugar serine modifications?
> Google and PubMed failed to inspire us...
> 
> 
> 
> Thanks,
> 
> Klaas
> 
> 
> -- 
> Klaas Decanniere                        E-mail: klaas@ultr.vub.ac.be
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Kim HENRICK    henrick@ebi.ac.uk ::telephone:  +44 (0) 1223 494629