PDB entry 3gur

View 3gur on RCSB PDB site
Description: Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX)
Class: transferase/transferase inhibitor
Keywords: GSTM2-2-inhibitor complex, glutathione-NBDHEX covalent complex (sigma-complex), TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2009-03-30, released 2009-10-27
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-12-14, with a file datestamp of 2011-12-09.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.216
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Glutathione S-transferase Mu 2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3gura1, d3gura2
  • Chain 'B':
    Compound: Glutathione S-transferase Mu 2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3gurb1, d3gurb2
  • Chain 'C':
    Compound: Glutathione S-transferase Mu 2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3gurc1, d3gurc2
  • Chain 'D':
    Compound: Glutathione S-transferase Mu 2
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3gurd1, d3gurd2
  • Heterogens: BYG, GSH, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3gurA (A:)
    pmtlgywnirglahsirllleytdssyeekkytmgdapdydrsqwlnekfklgldfpnlp
    ylidgthkitqsnailryiarkhnlcgesekeqiredilenqfmdsrmqlaklcydpdfe
    klkpeylqalpemlklysqflgkqpwflgdkitfvdfiaydvlernqvfepscldafpnl
    kdfisrfeglekisaymkssrflprpvftkmavwgnk
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3gurB (B:)
    pmtlgywnirglahsirllleytdssyeekkytmgdapdydrsqwlnekfklgldfpnlp
    ylidgthkitqsnailryiarkhnlcgesekeqiredilenqfmdsrmqlaklcydpdfe
    klkpeylqalpemlklysqflgkqpwflgdkitfvdfiaydvlernqvfepscldafpnl
    kdfisrfeglekisaymkssrflprpvftkmavwgnk
    

    Sequence, based on observed residues (ATOM records): (download)
    >3gurB (B:)
    pmtlgywnirglahsirllleytdssyeekkytmgdapdydrsqwlnekfklgldfpnlp
    ylidgthkitqsnailryiarkhnlcgesekeqiredilenqfmdsrmqlaklcydpdfe
    klkpeylqalpemlklysqflgkqpwflgdkitfvdfiaydvlernqvfepscldafpnl
    kdfisrfeglekisaymkssrflprpvftkmavwgn
    

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3gurC (C:)
    pmtlgywnirglahsirllleytdssyeekkytmgdapdydrsqwlnekfklgldfpnlp
    ylidgthkitqsnailryiarkhnlcgesekeqiredilenqfmdsrmqlaklcydpdfe
    klkpeylqalpemlklysqflgkqpwflgdkitfvdfiaydvlernqvfepscldafpnl
    kdfisrfeglekisaymkssrflprpvftkmavwgnk
    

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3gurD (D:)
    pmtlgywnirglahsirllleytdssyeekkytmgdapdydrsqwlnekfklgldfpnlp
    ylidgthkitqsnailryiarkhnlcgesekeqiredilenqfmdsrmqlaklcydpdfe
    klkpeylqalpemlklysqflgkqpwflgdkitfvdfiaydvlernqvfepscldafpnl
    kdfisrfeglekisaymkssrflprpvftkmavwgnk