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TOPSAN > Proteins > JCSG > 3bby

3bby

    Page last modified 02:57, 6 Apr 2010 by dweekes
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    Table of contents
    1. 1. Protein Summary
    2. 2. Ligand Summary
    3. 3. References

    Title Crystal structure of glutathione S-transferase (NP_416804.1) from Escherichia coli K12 at 1.85 A resolution. To be published
    Site JCSG
    PDB Id 3bby Target Id 379351
    Molecular Characteristics
    Source Escherichia coli k12
    Alias Ids NP_416804.1 Molecular Weight 24324.40 Da.
    Residues 214 Isoelectric Point 5.27
    Sequence mskpaitlwsdahffspyvlsawvalqekglsfhiktidldsgehlqptwqgygqtrrvpllqiddfels essaiaeyledrfapptweriypldlenrararqiqawlrsdlmpireerptdvvfagakkapltaegk asaeklfamaehllvlgqpnlfgewciadtdlalminrlvlhgdevperlvdyatfqwqrasvqrfial sakqsg
      BLAST   FFAS

    Structure Determination
    Method XRAY Chains 1
    Resolution (Å) 1.85 Rfree 0.195
    Matthews' coefficent 2.64 Rfactor 0.158
    Waters 230 Solvent Content 53.46

    Ligand Information
    Ligands ACT (ACETATE) x 1;ETX (2-ETHOXYETHANOL) x 2
    Metals CA (CALCIUM) x 2

    Jmol

    Protein Summary

    The yfcF from Escherichia coli k12encodes glutathione S-transferase (subfamily 4).

    This structure is structural and sequentially homologous to Glutathione S-transferase (GST, eg 6gss) 

    The A71 (glu) is important by structural alignment, also A71 is a clearly defined Ramachandran outlier. It is interesting to note that 40-57 is disordered, this seems to correlate with empty active site, it is likely that this segment is important for substrate binding.

    PFAM entry http://pfam.sanger.ac.uk/family?acc=PF02798

    Putative catalytic tyrosine is Tyr18.  The additional analysis needs to be done to confirm Arg58 role in GSH binding.


    Ligand Summary



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