PDB entry 3ek1

View 3ek1 on RCSB PDB site
Description: Crystal structure of aldehyde dehydrogenase from brucella melitensis biovar abortus 2308
Class: oxidoreductase
Keywords: SSGCID, ALDEHYDE DEHYDROGENASE,, Oxidoreductase, Structural Genomics, Seattle Structural Genomics Center for Infectious Disease
Deposited on 2008-09-18, released 2008-09-30
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-04-14, with a file datestamp of 2009-04-10.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.164
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: aldehyde dehydrogenase
    Species: Brucella melitensis biovar Abortus 2308 [TaxId:359391]
    Gene: gabD, BAB1_1655
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q2YRI3 (21-503)
      • expression tag (19-20)
    Domains in SCOPe 2.07: d3ek1a1, d3ek1a2
  • Chain 'B':
    Compound: aldehyde dehydrogenase
    Species: Brucella melitensis biovar Abortus 2308 [TaxId:359391]
    Gene: gabD, BAB1_1655
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ek1b_
  • Chain 'C':
    Compound: aldehyde dehydrogenase
    Species: Brucella melitensis biovar Abortus 2308 [TaxId:359391]
    Gene: gabD, BAB1_1655
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ek1c_
  • Chain 'D':
    Compound: aldehyde dehydrogenase
    Species: Brucella melitensis biovar Abortus 2308 [TaxId:359391]
    Gene: gabD, BAB1_1655
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ek1d_
  • Chain 'E':
    Compound: aldehyde dehydrogenase
    Species: Brucella melitensis biovar Abortus 2308 [TaxId:359391]
    Gene: gabD, BAB1_1655
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ek1e_
  • Chain 'F':
    Compound: aldehyde dehydrogenase
    Species: Brucella melitensis biovar Abortus 2308 [TaxId:359391]
    Gene: gabD, BAB1_1655
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ek1f_
  • Chain 'G':
    Compound: aldehyde dehydrogenase
    Species: Brucella melitensis biovar Abortus 2308 [TaxId:359391]
    Gene: gabD, BAB1_1655
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ek1g_
  • Chain 'H':
    Compound: aldehyde dehydrogenase
    Species: Brucella melitensis biovar Abortus 2308 [TaxId:359391]
    Gene: gabD, BAB1_1655
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ek1h_
  • Heterogens: SO4, MES, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ek1A (A:)
    mahhhhhhmgtleaqtqgpgsmlalkdpsllksqclvngrwidaadgttikvtnpadgsv
    igtvpslsvatikeaidasakalsgwaaktakeragilrkwfdliianaddialimtseq
    gkplaeargevlyaasfiewfaeeakrvygdtipapqngqrltvirqpvgvtaaitpwnf
    paamitrkaapalaagctmivrpadltpltalalgvlaekagipagvlqivtgkareiga
    eltsndtvrklsftgstevgrllmaqcaptikrislelggnapfivfddadldaavdgam
    vskyrnagqtcvcanriyvqrgvydkfaeklaakvkelkvgngtepgvvigpmieekait
    kvkahiedavskgaklitggkelgglffepgiltgvtsdmlvakeetfgplaplfafdte
    eeviaqandtifglaayfytenfsrairvsealeygmvghntglisnevapfggvkqsgl
    gregskygieeyletkyicsaykr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ek1A (A:)
    gsmlalkdpsllksqclvngrwidaadgttikvtnpadgsvigtvpslsvatikeaidas
    akalsgwaaktakeragilrkwfdliianaddialimtseqgkplaeargevlyaasfie
    wfaeeakrvygdtipapqngqrltvirqpvgvtaaitpwnfpaamitrkaapalaagctm
    ivrpadltpltalalgvlaekagipagvlqivtgkareigaeltsndtvrklsftgstev
    grllmaqcaptikrislelggnapfivfddadldaavdgamvskyrnagqtcvcanriyv
    qrgvydkfaeklaakvkelkvgngtepgvvigpmieekaitkvkahiedavskgaklitg
    gkelgglffepgiltgvtsdmlvakeetfgplaplfafdteeeviaqandtifglaayfy
    tenfsrairvsealeygmvghntglisnevapfggvkqsglgregskygieeyletkyic
    saykr
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ek1B (B:)
    mahhhhhhmgtleaqtqgpgsmlalkdpsllksqclvngrwidaadgttikvtnpadgsv
    igtvpslsvatikeaidasakalsgwaaktakeragilrkwfdliianaddialimtseq
    gkplaeargevlyaasfiewfaeeakrvygdtipapqngqrltvirqpvgvtaaitpwnf
    paamitrkaapalaagctmivrpadltpltalalgvlaekagipagvlqivtgkareiga
    eltsndtvrklsftgstevgrllmaqcaptikrislelggnapfivfddadldaavdgam
    vskyrnagqtcvcanriyvqrgvydkfaeklaakvkelkvgngtepgvvigpmieekait
    kvkahiedavskgaklitggkelgglffepgiltgvtsdmlvakeetfgplaplfafdte
    eeviaqandtifglaayfytenfsrairvsealeygmvghntglisnevapfggvkqsgl
    gregskygieeyletkyicsaykr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ek1B (B:)
    mlalkdpsllksqclvngrwidaadgttikvtnpadgsvigtvpslsvatikeaidasak
    alsgwaaktakeragilrkwfdliianaddialimtseqgkplaeargevlyaasfiewf
    aeeakrvygdtipapqngqrltvirqpvgvtaaitpwnfpaamitrkaapalaagctmiv
    rpadltpltalalgvlaekagipagvlqivtgkareigaeltsndtvrklsftgstevgr
    llmaqcaptikrislelggnapfivfddadldaavdgamvskyrnagqtcvcanriyvqr
    gvydkfaeklaakvkelkvgngtepgvvigpmieekaitkvkahiedavskgaklitggk
    elgglffepgiltgvtsdmlvakeetfgplaplfafdteeeviaqandtifglaayfyte
    nfsrairvsealeygmvghntglisnevapfggvkqsglgregskygieeyletkyicsa
    ykr
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ek1C (C:)
    mahhhhhhmgtleaqtqgpgsmlalkdpsllksqclvngrwidaadgttikvtnpadgsv
    igtvpslsvatikeaidasakalsgwaaktakeragilrkwfdliianaddialimtseq
    gkplaeargevlyaasfiewfaeeakrvygdtipapqngqrltvirqpvgvtaaitpwnf
    paamitrkaapalaagctmivrpadltpltalalgvlaekagipagvlqivtgkareiga
    eltsndtvrklsftgstevgrllmaqcaptikrislelggnapfivfddadldaavdgam
    vskyrnagqtcvcanriyvqrgvydkfaeklaakvkelkvgngtepgvvigpmieekait
    kvkahiedavskgaklitggkelgglffepgiltgvtsdmlvakeetfgplaplfafdte
    eeviaqandtifglaayfytenfsrairvsealeygmvghntglisnevapfggvkqsgl
    gregskygieeyletkyicsaykr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ek1C (C:)
    mlalkdpsllksqclvngrwidaadgttikvtnpadgsvigtvpslsvatikeaidasak
    alsgwaaktakeragilrkwfdliianaddialimtseqgkplaeargevlyaasfiewf
    aeeakrvygdtipapqngqrltvirqpvgvtaaitpwnfpaamitrkaapalaagctmiv
    rpadltpltalalgvlaekagipagvlqivtgkareigaeltsndtvrklsftgstevgr
    llmaqcaptikrislelggnapfivfddadldaavdgamvskyrnagqtcvcanriyvqr
    gvydkfaeklaakvkelkvgngtepgvvigpmieekaitkvkahiedavskgaklitggk
    elgglffepgiltgvtsdmlvakeetfgplaplfafdteeeviaqandtifglaayfyte
    nfsrairvsealeygmvghntglisnevapfggvkqsglgregskygieeyletkyicsa
    ykr
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3ek1D (D:)
    mahhhhhhmgtleaqtqgpgsmlalkdpsllksqclvngrwidaadgttikvtnpadgsv
    igtvpslsvatikeaidasakalsgwaaktakeragilrkwfdliianaddialimtseq
    gkplaeargevlyaasfiewfaeeakrvygdtipapqngqrltvirqpvgvtaaitpwnf
    paamitrkaapalaagctmivrpadltpltalalgvlaekagipagvlqivtgkareiga
    eltsndtvrklsftgstevgrllmaqcaptikrislelggnapfivfddadldaavdgam
    vskyrnagqtcvcanriyvqrgvydkfaeklaakvkelkvgngtepgvvigpmieekait
    kvkahiedavskgaklitggkelgglffepgiltgvtsdmlvakeetfgplaplfafdte
    eeviaqandtifglaayfytenfsrairvsealeygmvghntglisnevapfggvkqsgl
    gregskygieeyletkyicsaykr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ek1D (D:)
    mlalkdpsllksqclvngrwidaadgttikvtnpadgsvigtvpslsvatikeaidasak
    alsgwaaktakeragilrkwfdliianaddialimtseqgkplaeargevlyaasfiewf
    aeeakrvygdtipapqngqrltvirqpvgvtaaitpwnfpaamitrkaapalaagctmiv
    rpadltpltalalgvlaekagipagvlqivtgkareigaeltsndtvrklsftgstevgr
    llmaqcaptikrislelggnapfivfddadldaavdgamvskyrnagqtcvcanriyvqr
    gvydkfaeklaakvkelkvgngtepgvvigpmieekaitkvkahiedavskgaklitggk
    elgglffepgiltgvtsdmlvakeetfgplaplfafdteeeviaqandtifglaayfyte
    nfsrairvsealeygmvghntglisnevapfggvkqsglgregskygieeyletkyicsa
    ykr
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3ek1E (E:)
    mahhhhhhmgtleaqtqgpgsmlalkdpsllksqclvngrwidaadgttikvtnpadgsv
    igtvpslsvatikeaidasakalsgwaaktakeragilrkwfdliianaddialimtseq
    gkplaeargevlyaasfiewfaeeakrvygdtipapqngqrltvirqpvgvtaaitpwnf
    paamitrkaapalaagctmivrpadltpltalalgvlaekagipagvlqivtgkareiga
    eltsndtvrklsftgstevgrllmaqcaptikrislelggnapfivfddadldaavdgam
    vskyrnagqtcvcanriyvqrgvydkfaeklaakvkelkvgngtepgvvigpmieekait
    kvkahiedavskgaklitggkelgglffepgiltgvtsdmlvakeetfgplaplfafdte
    eeviaqandtifglaayfytenfsrairvsealeygmvghntglisnevapfggvkqsgl
    gregskygieeyletkyicsaykr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ek1E (E:)
    mlalkdpsllksqclvngrwidaadgttikvtnpadgsvigtvpslsvatikeaidasak
    alsgwaaktakeragilrkwfdliianaddialimtseqgkplaeargevlyaasfiewf
    aeeakrvygdtipapqngqrltvirqpvgvtaaitpwnfpaamitrkaapalaagctmiv
    rpadltpltalalgvlaekagipagvlqivtgkareigaeltsndtvrklsftgstevgr
    llmaqcaptikrislelggnapfivfddadldaavdgamvskyrnagqtcvcanriyvqr
    gvydkfaeklaakvkelkvgngtepgvvigpmieekaitkvkahiedavskgaklitggk
    elgglffepgiltgvtsdmlvakeetfgplaplfafdteeeviaqandtifglaayfyte
    nfsrairvsealeygmvghntglisnevapfggvkqsglgregskygieeyletkyicsa
    ykr
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3ek1F (F:)
    mahhhhhhmgtleaqtqgpgsmlalkdpsllksqclvngrwidaadgttikvtnpadgsv
    igtvpslsvatikeaidasakalsgwaaktakeragilrkwfdliianaddialimtseq
    gkplaeargevlyaasfiewfaeeakrvygdtipapqngqrltvirqpvgvtaaitpwnf
    paamitrkaapalaagctmivrpadltpltalalgvlaekagipagvlqivtgkareiga
    eltsndtvrklsftgstevgrllmaqcaptikrislelggnapfivfddadldaavdgam
    vskyrnagqtcvcanriyvqrgvydkfaeklaakvkelkvgngtepgvvigpmieekait
    kvkahiedavskgaklitggkelgglffepgiltgvtsdmlvakeetfgplaplfafdte
    eeviaqandtifglaayfytenfsrairvsealeygmvghntglisnevapfggvkqsgl
    gregskygieeyletkyicsaykr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ek1F (F:)
    mlalkdpsllksqclvngrwidaadgttikvtnpadgsvigtvpslsvatikeaidasak
    alsgwaaktakeragilrkwfdliianaddialimtseqgkplaeargevlyaasfiewf
    aeeakrvygdtipapqngqrltvirqpvgvtaaitpwnfpaamitrkaapalaagctmiv
    rpadltpltalalgvlaekagipagvlqivtgkareigaeltsndtvrklsftgstevgr
    llmaqcaptikrislelggnapfivfddadldaavdgamvskyrnagqtcvcanriyvqr
    gvydkfaeklaakvkelkvgngtepgvvigpmieekaitkvkahiedavskgaklitggk
    elgglffepgiltgvtsdmlvakeetfgplaplfafdteeeviaqandtifglaayfyte
    nfsrairvsealeygmvghntglisnevapfggvkqsglgregskygieeyletkyicsa
    ykr
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3ek1G (G:)
    mahhhhhhmgtleaqtqgpgsmlalkdpsllksqclvngrwidaadgttikvtnpadgsv
    igtvpslsvatikeaidasakalsgwaaktakeragilrkwfdliianaddialimtseq
    gkplaeargevlyaasfiewfaeeakrvygdtipapqngqrltvirqpvgvtaaitpwnf
    paamitrkaapalaagctmivrpadltpltalalgvlaekagipagvlqivtgkareiga
    eltsndtvrklsftgstevgrllmaqcaptikrislelggnapfivfddadldaavdgam
    vskyrnagqtcvcanriyvqrgvydkfaeklaakvkelkvgngtepgvvigpmieekait
    kvkahiedavskgaklitggkelgglffepgiltgvtsdmlvakeetfgplaplfafdte
    eeviaqandtifglaayfytenfsrairvsealeygmvghntglisnevapfggvkqsgl
    gregskygieeyletkyicsaykr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ek1G (G:)
    lalkdpsllksqclvngrwidaadgttikvtnpadgsvigtvpslsvatikeaidasaka
    lsgwaaktakeragilrkwfdliianaddialimtseqgkplaeargevlyaasfiewfa
    eeakrvygdtipapqngqrltvirqpvgvtaaitpwnfpaamitrkaapalaagctmivr
    padltpltalalgvlaekagipagvlqivtgkareigaeltsndtvrklsftgstevgrl
    lmaqcaptikrislelggnapfivfddadldaavdgamvskyrnagqtcvcanriyvqrg
    vydkfaeklaakvkelkvgngtepgvvigpmieekaitkvkahiedavskgaklitggke
    lgglffepgiltgvtsdmlvakeetfgplaplfafdteeeviaqandtifglaayfyten
    fsrairvsealeygmvghntglisnevapfggvkqsglgregskygieeyletkyicsay
    kr
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3ek1H (H:)
    mahhhhhhmgtleaqtqgpgsmlalkdpsllksqclvngrwidaadgttikvtnpadgsv
    igtvpslsvatikeaidasakalsgwaaktakeragilrkwfdliianaddialimtseq
    gkplaeargevlyaasfiewfaeeakrvygdtipapqngqrltvirqpvgvtaaitpwnf
    paamitrkaapalaagctmivrpadltpltalalgvlaekagipagvlqivtgkareiga
    eltsndtvrklsftgstevgrllmaqcaptikrislelggnapfivfddadldaavdgam
    vskyrnagqtcvcanriyvqrgvydkfaeklaakvkelkvgngtepgvvigpmieekait
    kvkahiedavskgaklitggkelgglffepgiltgvtsdmlvakeetfgplaplfafdte
    eeviaqandtifglaayfytenfsrairvsealeygmvghntglisnevapfggvkqsgl
    gregskygieeyletkyicsaykr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ek1H (H:)
    mlalkdpsllksqclvngrwidaadgttikvtnpadgsvigtvpslsvatikeaidasak
    alsgwaaktakeragilrkwfdliianaddialimtseqgkplaeargevlyaasfiewf
    aeeakrvygdtipapqngqrltvirqpvgvtaaitpwnfpaamitrkaapalaagctmiv
    rpadltpltalalgvlaekagipagvlqivtgkareigaeltsndtvrklsftgstevgr
    llmaqcaptikrislelggnapfivfddadldaavdgamvskyrnagqtcvcanriyvqr
    gvydkfaeklaakvkelkvgngtepgvvigpmieekaitkvkahiedavskgaklitggk
    elgglffepgiltgvtsdmlvakeetfgplaplfafdteeeviaqandtifglaayfyte
    nfsrairvsealeygmvghntglisnevapfggvkqsglgregskygieeyletkyicsa
    ykr