PDB entry 2w3r

View 2w3r on RCSB PDB site
Description: crystal structure of xanthine dehydrogenase (desulfo form) from rhodobacter capsulatus in complex with hypoxanthine
Class: oxidoreductase
Keywords: xdh, gout, iron, 2fe-2s, xanthine, iron-sulfur, molybdenum cofactor, hypoxanthine, metal-binding, oxidoreductase
Deposited on 2008-11-14, released 2008-12-23
The last revision prior to the SCOPe 2.05 freeze date was dated 2009-12-08, with a file datestamp of 2009-12-04.
Experiment type: XRAY
Resolution: 2.9 Å
R-factor: 0.242
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Xanthine Dehydrogenase
    Species: RHODOBACTER CAPSULATUS [TaxId:1061]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54050 (0-461)
      • conflict (25)
    Domains in SCOPe 2.05: d2w3ra1, d2w3ra2, d2w3ra3, d2w3ra4
  • Chain 'B':
    Compound: Xanthine Dehydrogenase
    Species: RHODOBACTER CAPSULATUS [TaxId:1061]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54051 (Start-776)
      • conflict (771)
    Domains in SCOPe 2.05: d2w3rb1, d2w3rb2
  • Chain 'C':
    Compound: Xanthine Dehydrogenase
    Species: RHODOBACTER CAPSULATUS [TaxId:1061]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54050 (0-461)
      • conflict (25)
    Domains in SCOPe 2.05: d2w3rc1, d2w3rc2, d2w3rc3, d2w3rc4
  • Chain 'D':
    Compound: Xanthine Dehydrogenase
    Species: RHODOBACTER CAPSULATUS [TaxId:1061]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54051 (Start-776)
      • conflict (771)
    Domains in SCOPe 2.05: d2w3rd1, d2w3rd2
  • Chain 'E':
    Compound: Xanthine Dehydrogenase
    Species: RHODOBACTER CAPSULATUS [TaxId:1061]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54050 (0-461)
      • conflict (25)
    Domains in SCOPe 2.05: d2w3re1, d2w3re2, d2w3re3, d2w3re4
  • Chain 'F':
    Compound: Xanthine Dehydrogenase
    Species: RHODOBACTER CAPSULATUS [TaxId:1061]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54051 (Start-776)
      • conflict (771)
    Domains in SCOPe 2.05: d2w3rf1, d2w3rf2
  • Chain 'G':
    Compound: Xanthine Dehydrogenase
    Species: RHODOBACTER CAPSULATUS [TaxId:1061]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54050 (0-461)
      • conflict (25)
    Domains in SCOPe 2.05: d2w3rg1, d2w3rg2, d2w3rg3, d2w3rg4
  • Chain 'H':
    Compound: Xanthine Dehydrogenase
    Species: RHODOBACTER CAPSULATUS [TaxId:1061]
    Database cross-references and differences (RAF-indexed):
    • Uniprot O54051 (Start-776)
      • conflict (771)
    Domains in SCOPe 2.05: d2w3rh1, d2w3rh2
  • Heterogens: FES, FAD, MPN, CA, HPA, MOM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2w3rA (A:)
    meiafllngetrrvriedptqsllewlraegltgtkegcnegdcgactvmirdaagsrav
    naclmmlpqiagkalrtiegiaapdgrlhpvqqamidhhgsqcgfctpgfivsmaaahdr
    drkdyddllagnlcrctgyapilraaeaaageppadwlqadaaftlaqlssgvrgqtapa
    flpetsdaladwylahpeatliaggtdvslwvtkalrdlpevaflshckdlaqiretpdg
    ygigagvtiaalrafaegphpalagllrrfaseqvrqvatiggniangspigdgppalia
    mgasltlrrgqerrrmpledffleyrkqdrrpgefvesvtlpksapglrcyklskrfdqd
    isavcgclnltlkgskietariafggmagvpkraaafeaaligqdfredtiaaalpllaq
    dftplsdmrasaayrmnaaqamalryvrelsgeavavlevmp
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w3rA (A:)
    meiafllngetrrvriedptqsllewlraegltgtkegcnegdcgactvmirdaagsrav
    naclmmlpqiagkalrtiegiaapdgrlhpvqqamidhhgsqcgfctpgfivsmaaahdr
    drkdyddllagnlcrctgyapilraaeaaageppadwlqadaaftlpaflpetsdaladw
    ylahpeatliaggtdvslwvtkalrdlpevaflshckdlaqiretpdgygigagvtiaal
    rafaegphpalagllrrfaseqvrqvatiggniangspigdgppaliamgasltlrrgqe
    rrrmpledffleyrkqdrrpgefvesvtlpksapglrcyklskrfdqdisavcgclnltl
    kgskietariafggmagvpkraaafeaaligqdfredtiaaalpllaqdftplsdmrasa
    ayrmnaaqamalryvrelsgeavavlevmp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2w3rB (B:)
    msvgkplphdsarahvtgqarylddlpcpantlhlafglsteasaaitgldlepvrespg
    viavftaadlphdndaspapspepvlatgevhfvgqpiflvaatshraariaarkarity
    aprpailtldqalaadsrfeggpviwargdvetalagaahlaegcfeiggqehfylegqa
    alalpaeggvvihcssqhpseiqhkvahalglafhdvrvemrrmgggfggkesqgnhlai
    acavaaratgrpckmrydrdddmvitgkrhdfriryrigadasgkllgadfvhlarcgws
    adlslpvcdramlhadgsyfvpalrieshrlrtntqsntafrgfggpqgalgmeraiehl
    argmgrdpaelralnfydppergglsappsppepiatkktqtthygqevadcvlgelvtr
    lqksanfttrraeiaawnstnrtlargialspvkfgisftlthlnqagalvqiytdgsva
    lnhggtemgqglhakmvqvaaavlgidpvqvritatdtskvpntsataassgadmngmav
    kdacetlrgrlagfvaaregcaardvifdagqvqasgkswrfaeivaaaymarislsatg
    fyatpklswdrlrgqgrpflyfaygaaitevvidrltgenrilrtdilhdagaslnpald
    igqiegayvqgagwltteelvwdhcgrlmthapstykipafsdrprifnvalwdqpnree
    tifrskavgeppfllgisaflalhdacaacgphwpdlqapatpeavlaavrraegra
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w3rB (B:)
    svgkplphdsarahvtgqarylddlpcpantlhlafglsteasaaitgldlepvrespgv
    iavftaadlphdndaspapspepvlatgevhfvgqpiflvaatshraariaarkaritya
    prpailtldqalaadsrfeggpviwargdvetalagaahlaegcfeiggqehfylegqaa
    lalpaeggvvihcssqhpseiqhkvahalglafhdvrvemrrmgggfggkesqgnhlaia
    cavaaratgrpckmrydrdddmvitgkrhdfriryrigadasgkllgadfvhlarcgwsa
    dlslpvcdramlhadgsyfvpalrieshrlrtntqsntafrgfggpqgalgmeraiehla
    rgmgrdpaelralnfydppekktqtthygqevadcvlgelvtrlqksanfttrraeiaaw
    nstnrtlargialspvkfgisftlthlnqagalvqiytdgsvalnhggtemgqglhakmv
    qvaaavlgidpvqvritatdtskvpntsataassgadmngmavkdacetlrgrlagfvaa
    regcaardvifdagqvqasgkswrfaeivaaaymarislsatgfyatpklswdrlrgqgr
    pflyfaygaaitevvidrltgenrilrtdilhdagaslnpaldigqiegayvqgagwltt
    eelvwdhcgrlmthapstykipafsdrprifnvalwdqpnreetifrskavgeppfllgi
    saflalhdacaacgphwpdlqapatpeavlaavrraegra
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >2w3rC (C:)
    meiafllngetrrvriedptqsllewlraegltgtkegcnegdcgactvmirdaagsrav
    naclmmlpqiagkalrtiegiaapdgrlhpvqqamidhhgsqcgfctpgfivsmaaahdr
    drkdyddllagnlcrctgyapilraaeaaageppadwlqadaaftlaqlssgvrgqtapa
    flpetsdaladwylahpeatliaggtdvslwvtkalrdlpevaflshckdlaqiretpdg
    ygigagvtiaalrafaegphpalagllrrfaseqvrqvatiggniangspigdgppalia
    mgasltlrrgqerrrmpledffleyrkqdrrpgefvesvtlpksapglrcyklskrfdqd
    isavcgclnltlkgskietariafggmagvpkraaafeaaligqdfredtiaaalpllaq
    dftplsdmrasaayrmnaaqamalryvrelsgeavavlevmp
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w3rC (C:)
    meiafllngetrrvriedptqsllewlraegltgtkegcnegdcgactvmirdaagsrav
    naclmmlpqiagkalrtiegiaapdgrlhpvqqamidhhgsqcgfctpgfivsmaaahdr
    drkdyddllagnlcrctgyapilraaeaaageppadwlqadaaftlpaflpetsdaladw
    ylahpeatliaggtdvslwvtkalrdlpevaflshckdlaqiretpdgygigagvtiaal
    rafaegphpalagllrrfaseqvrqvatiggniangspigdgppaliamgasltlrrgqe
    rrrmpledffleyrkqdrrpgefvesvtlpksapglrcyklskrfdqdisavcgclnltl
    kgskietariafggmagvpkraaafeaaligqdfredtiaaalpllaqdftplsdmrasa
    ayrmnaaqamalryvrelsgeavavlevmp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >2w3rD (D:)
    msvgkplphdsarahvtgqarylddlpcpantlhlafglsteasaaitgldlepvrespg
    viavftaadlphdndaspapspepvlatgevhfvgqpiflvaatshraariaarkarity
    aprpailtldqalaadsrfeggpviwargdvetalagaahlaegcfeiggqehfylegqa
    alalpaeggvvihcssqhpseiqhkvahalglafhdvrvemrrmgggfggkesqgnhlai
    acavaaratgrpckmrydrdddmvitgkrhdfriryrigadasgkllgadfvhlarcgws
    adlslpvcdramlhadgsyfvpalrieshrlrtntqsntafrgfggpqgalgmeraiehl
    argmgrdpaelralnfydppergglsappsppepiatkktqtthygqevadcvlgelvtr
    lqksanfttrraeiaawnstnrtlargialspvkfgisftlthlnqagalvqiytdgsva
    lnhggtemgqglhakmvqvaaavlgidpvqvritatdtskvpntsataassgadmngmav
    kdacetlrgrlagfvaaregcaardvifdagqvqasgkswrfaeivaaaymarislsatg
    fyatpklswdrlrgqgrpflyfaygaaitevvidrltgenrilrtdilhdagaslnpald
    igqiegayvqgagwltteelvwdhcgrlmthapstykipafsdrprifnvalwdqpnree
    tifrskavgeppfllgisaflalhdacaacgphwpdlqapatpeavlaavrraegra
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w3rD (D:)
    svgkplphdsarahvtgqarylddlpcpantlhlafglsteasaaitgldlepvrespgv
    iavftaadlphdndaspapspepvlatgevhfvgqpiflvaatshraariaarkaritya
    prpailtldqalaadsrfeggpviwargdvetalagaahlaegcfeiggqehfylegqaa
    lalpaeggvvihcssqhpseiqhkvahalglafhdvrvemrrmgggfggkesqgnhlaia
    cavaaratgrpckmrydrdddmvitgkrhdfriryrigadasgkllgadfvhlarcgwsa
    dlslpvcdramlhadgsyfvpalrieshrlrtntqsntafrgfggpqgalgmeraiehla
    rgmgrdpaelralnfydppekktqtthygqevadcvlgelvtrlqksanfttrraeiaaw
    nstnrtlargialspvkfgisftlthlnqagalvqiytdgsvalnhggtemgqglhakmv
    qvaaavlgidpvqvritatdtskvpntsataassgadmngmavkdacetlrgrlagfvaa
    regcaardvifdagqvqasgkswrfaeivaaaymarislsatgfyatpklswdrlrgqgr
    pflyfaygaaitevvidrltgenrilrtdilhdagaslnpaldigqiegayvqgagwltt
    eelvwdhcgrlmthapstykipafsdrprifnvalwdqpnreetifrskavgeppfllgi
    saflalhdacaacgphwpdlqapatpeavlaavrraegra
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >2w3rE (E:)
    meiafllngetrrvriedptqsllewlraegltgtkegcnegdcgactvmirdaagsrav
    naclmmlpqiagkalrtiegiaapdgrlhpvqqamidhhgsqcgfctpgfivsmaaahdr
    drkdyddllagnlcrctgyapilraaeaaageppadwlqadaaftlaqlssgvrgqtapa
    flpetsdaladwylahpeatliaggtdvslwvtkalrdlpevaflshckdlaqiretpdg
    ygigagvtiaalrafaegphpalagllrrfaseqvrqvatiggniangspigdgppalia
    mgasltlrrgqerrrmpledffleyrkqdrrpgefvesvtlpksapglrcyklskrfdqd
    isavcgclnltlkgskietariafggmagvpkraaafeaaligqdfredtiaaalpllaq
    dftplsdmrasaayrmnaaqamalryvrelsgeavavlevmp
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w3rE (E:)
    meiafllngetrrvriedptqsllewlraegltgtkegcnegdcgactvmirdaagsrav
    naclmmlpqiagkalrtiegiaapdgrlhpvqqamidhhgsqcgfctpgfivsmaaahdr
    drkdyddllagnlcrctgyapilraaeaaageppadwlqadaaftlpaflpetsdaladw
    ylahpeatliaggtdvslwvtkalrdlpevaflshckdlaqiretpdgygigagvtiaal
    rafaegphpalagllrrfaseqvrqvatiggniangspigdgppaliamgasltlrrgqe
    rrrmpledffleyrkqdrrpgefvesvtlpksapglrcyklskrfdqdisavcgclnltl
    kgskietariafggmagvpkraaafeaaligqdfredtiaaalpllaqdftplsdmrasa
    ayrmnaaqamalryvrelsgeavavlevmp
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >2w3rF (F:)
    msvgkplphdsarahvtgqarylddlpcpantlhlafglsteasaaitgldlepvrespg
    viavftaadlphdndaspapspepvlatgevhfvgqpiflvaatshraariaarkarity
    aprpailtldqalaadsrfeggpviwargdvetalagaahlaegcfeiggqehfylegqa
    alalpaeggvvihcssqhpseiqhkvahalglafhdvrvemrrmgggfggkesqgnhlai
    acavaaratgrpckmrydrdddmvitgkrhdfriryrigadasgkllgadfvhlarcgws
    adlslpvcdramlhadgsyfvpalrieshrlrtntqsntafrgfggpqgalgmeraiehl
    argmgrdpaelralnfydppergglsappsppepiatkktqtthygqevadcvlgelvtr
    lqksanfttrraeiaawnstnrtlargialspvkfgisftlthlnqagalvqiytdgsva
    lnhggtemgqglhakmvqvaaavlgidpvqvritatdtskvpntsataassgadmngmav
    kdacetlrgrlagfvaaregcaardvifdagqvqasgkswrfaeivaaaymarislsatg
    fyatpklswdrlrgqgrpflyfaygaaitevvidrltgenrilrtdilhdagaslnpald
    igqiegayvqgagwltteelvwdhcgrlmthapstykipafsdrprifnvalwdqpnree
    tifrskavgeppfllgisaflalhdacaacgphwpdlqapatpeavlaavrraegra
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w3rF (F:)
    svgkplphdsarahvtgqarylddlpcpantlhlafglsteasaaitgldlepvrespgv
    iavftaadlphdndaspapspepvlatgevhfvgqpiflvaatshraariaarkaritya
    prpailtldqalaadsrfeggpviwargdvetalagaahlaegcfeiggqehfylegqaa
    lalpaeggvvihcssqhpseiqhkvahalglafhdvrvemrrmgggfggkesqgnhlaia
    cavaaratgrpckmrydrdddmvitgkrhdfriryrigadasgkllgadfvhlarcgwsa
    dlslpvcdramlhadgsyfvpalrieshrlrtntqsntafrgfggpqgalgmeraiehla
    rgmgrdpaelralnfydppekktqtthygqevadcvlgelvtrlqksanfttrraeiaaw
    nstnrtlargialspvkfgisftlthlnqagalvqiytdgsvalnhggtemgqglhakmv
    qvaaavlgidpvqvritatdtskvpntsataassgadmngmavkdacetlrgrlagfvaa
    regcaardvifdagqvqasgkswrfaeivaaaymarislsatgfyatpklswdrlrgqgr
    pflyfaygaaitevvidrltgenrilrtdilhdagaslnpaldigqiegayvqgagwltt
    eelvwdhcgrlmthapstykipafsdrprifnvalwdqpnreetifrskavgeppfllgi
    saflalhdacaacgphwpdlqapatpeavlaavrraegra
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >2w3rG (G:)
    meiafllngetrrvriedptqsllewlraegltgtkegcnegdcgactvmirdaagsrav
    naclmmlpqiagkalrtiegiaapdgrlhpvqqamidhhgsqcgfctpgfivsmaaahdr
    drkdyddllagnlcrctgyapilraaeaaageppadwlqadaaftlaqlssgvrgqtapa
    flpetsdaladwylahpeatliaggtdvslwvtkalrdlpevaflshckdlaqiretpdg
    ygigagvtiaalrafaegphpalagllrrfaseqvrqvatiggniangspigdgppalia
    mgasltlrrgqerrrmpledffleyrkqdrrpgefvesvtlpksapglrcyklskrfdqd
    isavcgclnltlkgskietariafggmagvpkraaafeaaligqdfredtiaaalpllaq
    dftplsdmrasaayrmnaaqamalryvrelsgeavavlevmp
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w3rG (G:)
    meiafllngetrrvriedptqsllewlraegltgtkegcnegdcgactvmirdaagsrav
    naclmmlpqiagkalrtiegiaapdgrlhpvqqamidhhgsqcgfctpgfivsmaaahdr
    drkdyddllagnlcrctgyapilraaeaaageppadwlqadaaftlpaflpetsdaladw
    ylahpeatliaggtdvslwvtkalrdlpevaflshckdlaqiretpdgygigagvtiaal
    rafaegphpalagllrrfaseqvrqvatiggniangspigdgppaliamgasltlrrgqe
    rrrmpledffleyrkqdrrpgefvesvtlpksapglrcyklskrfdqdisavcgclnltl
    kgskietariafggmagvpkraaafeaaligqdfredtiaaalpllaqdftplsdmrasa
    ayrmnaaqamalryvrelsgeavavlevmp
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >2w3rH (H:)
    msvgkplphdsarahvtgqarylddlpcpantlhlafglsteasaaitgldlepvrespg
    viavftaadlphdndaspapspepvlatgevhfvgqpiflvaatshraariaarkarity
    aprpailtldqalaadsrfeggpviwargdvetalagaahlaegcfeiggqehfylegqa
    alalpaeggvvihcssqhpseiqhkvahalglafhdvrvemrrmgggfggkesqgnhlai
    acavaaratgrpckmrydrdddmvitgkrhdfriryrigadasgkllgadfvhlarcgws
    adlslpvcdramlhadgsyfvpalrieshrlrtntqsntafrgfggpqgalgmeraiehl
    argmgrdpaelralnfydppergglsappsppepiatkktqtthygqevadcvlgelvtr
    lqksanfttrraeiaawnstnrtlargialspvkfgisftlthlnqagalvqiytdgsva
    lnhggtemgqglhakmvqvaaavlgidpvqvritatdtskvpntsataassgadmngmav
    kdacetlrgrlagfvaaregcaardvifdagqvqasgkswrfaeivaaaymarislsatg
    fyatpklswdrlrgqgrpflyfaygaaitevvidrltgenrilrtdilhdagaslnpald
    igqiegayvqgagwltteelvwdhcgrlmthapstykipafsdrprifnvalwdqpnree
    tifrskavgeppfllgisaflalhdacaacgphwpdlqapatpeavlaavrraegra
    

    Sequence, based on observed residues (ATOM records): (download)
    >2w3rH (H:)
    svgkplphdsarahvtgqarylddlpcpantlhlafglsteasaaitgldlepvrespgv
    iavftaadlphdndaspapspepvlatgevhfvgqpiflvaatshraariaarkaritya
    prpailtldqalaadsrfeggpviwargdvetalagaahlaegcfeiggqehfylegqaa
    lalpaeggvvihcssqhpseiqhkvahalglafhdvrvemrrmgggfggkesqgnhlaia
    cavaaratgrpckmrydrdddmvitgkrhdfriryrigadasgkllgadfvhlarcgwsa
    dlslpvcdramlhadgsyfvpalrieshrlrtntqsntafrgfggpqgalgmeraiehla
    rgmgrdpaelralnfydppekktqtthygqevadcvlgelvtrlqksanfttrraeiaaw
    nstnrtlargialspvkfgisftlthlnqagalvqiytdgsvalnhggtemgqglhakmv
    qvaaavlgidpvqvritatdtskvpntsataassgadmngmavkdacetlrgrlagfvaa
    regcaardvifdagqvqasgkswrfaeivaaaymarislsatgfyatpklswdrlrgqgr
    pflyfaygaaitevvidrltgenrilrtdilhdagaslnpaldigqiegayvqgagwltt
    eelvwdhcgrlmthapstykipafsdrprifnvalwdqpnreetifrskavgeppfllgi
    saflalhdacaacgphwpdlqapatpeavlaavrraegra