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 2.08 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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 2.08: 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