PDB entry 3kmo

View 3kmo on RCSB PDB site
Description: Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent DTT)
Class: transferase
Keywords: transferase, glutathione, detoxification, double mutant, ethacrynic acid, diuretic drug, dimer interface
Deposited on 2009-11-11, released 2010-03-23
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-12-07, with a file datestamp of 2011-12-02.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.169
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Glutathione S-transferase P
    Species: Homo sapiens [TaxId:9606]
    Gene: FAEES3, GST3, GSTP1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09211 (Start-208)
      • engineered (46)
      • engineered (107)
    Domains in SCOPe 2.06: d3kmoa1, d3kmoa2
  • Chain 'B':
    Compound: Glutathione S-transferase P
    Species: Homo sapiens [TaxId:9606]
    Gene: FAEES3, GST3, GSTP1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P09211 (0-208)
      • engineered (46)
      • engineered (107)
    Domains in SCOPe 2.06: d3kmob1, d3kmob2
  • Heterogens: GSH, CA, EAA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3kmoA (A:)
ppytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasslygqlpkfqdgdl
tlyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyislivtnyeagkddyvk
alpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayv
grlsarpklkaflaspeyvnlpingngkq

    Sequence, based on observed residues (ATOM records): (download) 
    >3kmoA (A:)
pytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasslygqlpkfqdgdlt
lyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyislivtnyeagkddyvka
lpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayvg
rlsarpklkaflaspeyvnlpingngkq

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3kmoB (B:)
ppytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasslygqlpkfqdgdl
tlyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyislivtnyeagkddyvk
alpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayv
grlsarpklkaflaspeyvnlpingngkq