PDB entry 3km6

View 3km6 on RCSB PDB site
Description: Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate
Class: transferase
Keywords: transferase, glutathione, detoxification, double mutant, ethacrynic acid, diuretic drug, dimer interface
Deposited on 2009-11-10, released 2010-03-23
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-03-21, with a file datestamp of 2012-03-16.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.155
AEROSPACI score: 0.46 (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 2.04: d3km6a1, d3km6a2
  • 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 2.04: d3km6b1, d3km6b2
  • Heterogens: EAA, GSH, CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3km6A (A:)
ppytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasslygqlpkfqdgdl
tlyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyislivtnyeagkddyvk
alpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayv
grlsarpklkaflaspeyvnlpingngkq

    Sequence, based on observed residues (ATOM records): (download) 
    >3km6A (A:)
pytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasslygqlpkfqdgdlt
lyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyislivtnyeagkddyvka
lpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayvg
rlsarpklkaflaspeyvnlpingngkq

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3km6B (B:)
ppytvvyfpvrgrcaalrmlladqgqswkeevvtvetwqegslkasslygqlpkfqdgdl
tlyqsntilrhlgrtlglygkdqqeaalvdmvndgvedlrckyislivtnyeagkddyvk
alpgqlkpfetllsqnqggktfivgdqisfadynlldlllihevlapgcldafpllsayv
grlsarpklkaflaspeyvnlpingngkq