PDB entry 3bdj

View 3bdj on RCSB PDB site
Description: Crystal Structure of Bovine Milk Xanthine Dehydrogenase with a Covalently Bound Oxipurinol Inhibitor
Class: oxidoreductase
Keywords: oxypurinol, oxipurinol, alloxanthine, allopurinol, covalently bound inhibitor, xanthine oxidase, xanthine oxidoreductase, xanthine dehydrogenase, fad, flavoprotein, iron-sulfur, molybdopterin, peroxisome, oxidoreductase
Deposited on 2007-11-14, released 2008-11-25
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-25.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.191
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Xanthine dehydrogenase/oxidase
    Species: BOS TAURUS
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P80457 (Start-1331)
      • see remark 999 (551)
    Domains in SCOPe 2.03: d3bdja1, d3bdja2, d3bdja3, d3bdja4, d3bdja5, d3bdja6
  • Chain 'B':
    Compound: Xanthine dehydrogenase/oxidase
    Species: BOS TAURUS
    Gene:
    Database cross-references and differences (RAF-indexed):
    • Uniprot P80457 (Start-1331)
      • see remark 999 (551)
    Domains in SCOPe 2.03: d3bdjb1, d3bdjb2, d3bdjb3, d3bdjb4, d3bdjb5, d3bdjb6
  • Heterogens: CA, FES, MTE, MOW, FAD, 141, GOL, CO3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3bdjA (A:)
    mtadelvffvngkkvveknadpettllaylrrklglrgtklgcgeggcgactvmlskydr
    lqdkiihfsanaclapictlhhvavttvegigstktrlhpvqeriakshgsqcgfctpgi
    vmsmytllrnqpeptveeiedafqgnlcrctgyrpilqgfrtfaknggccggngnnpncc
    mnqkkdhtvtlspslfnpeefmpldptqepifppellrlkdvppkqlrfegervtwiqas
    tlkelldlkaqhpeaklvvgnteigiemkfknqlfpmiicpawipelnavehgpegisfg
    aacalssvektlleavaklptqktevfrgvleqlrwfagkqvksvaslggniitaspisd
    lnpvfmasgtkltivsrgtrrtvpmdhtffpsyrktllgpeeillsieipysredeffsa
    fkqasrreddiakvtcgmrvlfqpgsmqvkelalcyggmadrtisalkttqkqlskfwne
    kllqdvcaglaeelslspdapggmiefrrtltlsfffkfyltvlkklgkdskdkcgkldp
    tytsatllfqkhppaniqlfqevpngqskedtvgrplphlaaamqasgeavycddiprye
    nelflrlvtstrahakiksidvseaqkvpgfvcflsaddipgsnetglfndetvfakdtv
    tcvghiigavvadtpehaeraahvvkvtyedlpaiitiedaiknnsfygselkiekgdlk
    kgfseadnvvsgelyiggqdhfylethctiaipkgeegemelfvstqnamktqsfvakml
    gvpvnrilvrvkrmgggfggketrstlvsvavalaayktghpvrcmldrnedmlitggrh
    pflarykvgfmktgtivalevdhysnagnsrdlshsimeralfhmdncykipnirgtgrl
    cktnlssntafrgfggpqalfiaenwmsevavtcglpaeevrwknmykegdlthfnqrle
    gfsvprcwdeclkssqyyarksevdkfnkencwkkrglciiptkfgisftvpflnqagal
    ihvytdgsvlvshggtemgqglhtkmvqvaskalkipiskiyisetstntvpnssptaas
    vstdiygqavyeacqtilkrlepfkkknpdgswedwvmaayqdrvslsttgfyrtpnlgy
    sfetnsgnafhyftygvacseveidcltgdhknlrtdivmdvgsslnpaidigqvegafv
    qglglftleelhyspegslhtrgpstykipafgsiptefrvsllrdcpnkkaiyaskavg
    epplflgasvffaikdairaaraqhtnnntkelfrldspatpekirnacvdkfttlcvtg
    apgnckpwslrv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bdjA (A:)
    adelvffvngkkvveknadpettllaylrrklglrgtklgcgeggcgactvmlskydrlq
    dkiihfsanaclapictlhhvavttvegigstktrlhpvqeriakshgsqcgfctpgivm
    smytllrnqpeptveeiedafqgnlcrctgyrpilqgfrtfapslfnpeefmpldptqep
    ifppellrlkdvppkqlrfegervtwiqastlkelldlkaqhpeaklvvgnteigiemkf
    knqlfpmiicpawipelnavehgpegisfgaacalssvektlleavaklptqktevfrgv
    leqlrwfagkqvksvaslggniitaspisdlnpvfmasgtkltivsrgtrrtvpmdhtff
    psyrktllgpeeillsieipysredeffsafkqasrreddiakvtcgmrvlfqpgsmqvk
    elalcyggmadrtisalkttqkqlskfwnekllqdvcaglaeelslspdapggmiefrrt
    ltlsfffkfyltvlkklgkldptytsatllfqkhppaniqlfqevpngqskedtvgrplp
    hlaaamqasgeavycddipryenelflrlvtstrahakiksidvseaqkvpgfvcflsad
    dipgsnetglfndetvfakdtvtcvghiigavvadtpehaeraahvvkvtyedlpaiiti
    edaiknnsfygselkiekgdlkkgfseadnvvsgelyiggqdhfylethctiaipkgeeg
    emelfvstqnamktqsfvakmlgvpvnrilvrvkrmgggfggketrstlvsvavalaayk
    tghpvrcmldrnedmlitggrhpflarykvgfmktgtivalevdhysnagnsrdlshsim
    eralfhmdncykipnirgtgrlcktnlssntafrgfggpqalfiaenwmsevavtcglpa
    eevrwknmykegdlthfnqrlegfsvprcwdeclkssqyyarksevdkfnkencwkkrgl
    ciiptkfgisftvpflnqagalihvytdgsvlvshggtemgqglhtkmvqvaskalkipi
    skiyisetstntvpnssptaasvstdiygqavyeacqtilkrlepfkkknpdgswedwvm
    aayqdrvslsttgfyrtpnlgysfetnsgnafhyftygvacseveidcltgdhknlrtdi
    vmdvgsslnpaidigqvegafvqglglftleelhyspegslhtrgpstykipafgsipte
    frvsllrdcpnkkaiyaskavgepplflgasvffaikdairaaraqhtnnntkelfrlds
    patpekirnacvdkfttlckpwslrv
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3bdjB (B:)
    mtadelvffvngkkvveknadpettllaylrrklglrgtklgcgeggcgactvmlskydr
    lqdkiihfsanaclapictlhhvavttvegigstktrlhpvqeriakshgsqcgfctpgi
    vmsmytllrnqpeptveeiedafqgnlcrctgyrpilqgfrtfaknggccggngnnpncc
    mnqkkdhtvtlspslfnpeefmpldptqepifppellrlkdvppkqlrfegervtwiqas
    tlkelldlkaqhpeaklvvgnteigiemkfknqlfpmiicpawipelnavehgpegisfg
    aacalssvektlleavaklptqktevfrgvleqlrwfagkqvksvaslggniitaspisd
    lnpvfmasgtkltivsrgtrrtvpmdhtffpsyrktllgpeeillsieipysredeffsa
    fkqasrreddiakvtcgmrvlfqpgsmqvkelalcyggmadrtisalkttqkqlskfwne
    kllqdvcaglaeelslspdapggmiefrrtltlsfffkfyltvlkklgkdskdkcgkldp
    tytsatllfqkhppaniqlfqevpngqskedtvgrplphlaaamqasgeavycddiprye
    nelflrlvtstrahakiksidvseaqkvpgfvcflsaddipgsnetglfndetvfakdtv
    tcvghiigavvadtpehaeraahvvkvtyedlpaiitiedaiknnsfygselkiekgdlk
    kgfseadnvvsgelyiggqdhfylethctiaipkgeegemelfvstqnamktqsfvakml
    gvpvnrilvrvkrmgggfggketrstlvsvavalaayktghpvrcmldrnedmlitggrh
    pflarykvgfmktgtivalevdhysnagnsrdlshsimeralfhmdncykipnirgtgrl
    cktnlssntafrgfggpqalfiaenwmsevavtcglpaeevrwknmykegdlthfnqrle
    gfsvprcwdeclkssqyyarksevdkfnkencwkkrglciiptkfgisftvpflnqagal
    ihvytdgsvlvshggtemgqglhtkmvqvaskalkipiskiyisetstntvpnssptaas
    vstdiygqavyeacqtilkrlepfkkknpdgswedwvmaayqdrvslsttgfyrtpnlgy
    sfetnsgnafhyftygvacseveidcltgdhknlrtdivmdvgsslnpaidigqvegafv
    qglglftleelhyspegslhtrgpstykipafgsiptefrvsllrdcpnkkaiyaskavg
    epplflgasvffaikdairaaraqhtnnntkelfrldspatpekirnacvdkfttlcvtg
    apgnckpwslrv
    

    Sequence, based on observed residues (ATOM records): (download)
    >3bdjB (B:)
    adelvffvngkkvveknadpettllaylrrklglrgtklgcgeggcgactvmlskydrlq
    dkiihfsanaclapictlhhvavttvegigstktrlhpvqeriakshgsqcgfctpgivm
    smytllrnqpeptveeiedafqgnlcrctgyrpilqgfrtfapslfnpeefmpldptqep
    ifppellrlkdvppkqlrfegervtwiqastlkelldlkaqhpeaklvvgnteigiemkf
    knqlfpmiicpawipelnavehgpegisfgaacalssvektlleavaklptqktevfrgv
    leqlrwfagkqvksvaslggniitaspisdlnpvfmasgtkltivsrgtrrtvpmdhtff
    psyrktllgpeeillsieipysredeffsafkqasrreddiakvtcgmrvlfqpgsmqvk
    elalcyggmadrtisalkttqkqlskfwnekllqdvcaglaeelslspdapggmiefrrt
    ltlsfffkfyltvlkklgkldptytsatllfqkhppaniqlfqevpngqskedtvgrplp
    hlaaamqasgeavycddipryenelflrlvtstrahakiksidvseaqkvpgfvcflsad
    dipgsnetglfndetvfakdtvtcvghiigavvadtpehaeraahvvkvtyedlpaiiti
    edaiknnsfygselkiekgdlkkgfseadnvvsgelyiggqdhfylethctiaipkgeeg
    emelfvstqnamktqsfvakmlgvpvnrilvrvkrmgggfggketrstlvsvavalaayk
    tghpvrcmldrnedmlitggrhpflarykvgfmktgtivalevdhysnagnsrdlshsim
    eralfhmdncykipnirgtgrlcktnlssntafrgfggpqalfiaenwmsevavtcglpa
    eevrwknmykegdlthfnqrlegfsvprcwdeclkssqyyarksevdkfnkencwkkrgl
    ciiptkfgisftvpflnqagalihvytdgsvlvshggtemgqglhtkmvqvaskalkipi
    skiyisetstntvpnssptaasvstdiygqavyeacqtilkrlepfkkknpdgswedwvm
    aayqdrvslsttgfyrtpnlgysfetnsgnafhyftygvacseveidcltgdhknlrtdi
    vmdvgsslnpaidigqvegafvqglglftleelhyspegslhtrgpstykipafgsipte
    frvsllrdcpnkkaiyaskavgepplflgasvffaikdairaaraqhtnnntkelfrlds
    patpekirnacvdkfttlckpwslrv