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The Open Protein Structure Annotation Network
PDB Keyword
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3bby

Table of contents
  1. 1. Protein Summary

Title Crystal structure of glutathione S-transferase (NP_416804.1) from Escherichia coli K12 at 1.85 A resolution.
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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