PDB entry 4l2o

View 4l2o on RCSB PDB site
Description: Crystal structure of human ALDH3A1 with its selective inhibitor 1-(4-fluorophenyl)sulfonyl-2-methylbenzimidazole
Class: OXIDOREDUCTASE/Inhibitor
Keywords: Catalyzes benzaldehyde, Rossmann fold, Dehydrogenase, NADP+ binding, OXIDOREDUCTASE-Inhibitor complex
Deposited on 2013-06-04, released 2014-01-29
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-11-12, with a file datestamp of 2014-11-07.
Experiment type: XRAY
Resolution: 1.94 Å
R-factor: 0.216
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: aldehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH3, ALDH3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30838
      • natural variant (149)
    Domains in SCOPe 2.08: d4l2oa_
  • Chain 'B':
    Compound: aldehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH3, ALDH3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30838
      • natural variant (149)
    Domains in SCOPe 2.08: d4l2ob_
  • Chain 'E':
    Compound: aldehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH3, ALDH3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30838
      • natural variant (149)
    Domains in SCOPe 2.08: d4l2oe_
  • Chain 'G':
    Compound: aldehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH3, ALDH3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30838
      • natural variant (149)
    Domains in SCOPe 2.08: d4l2og_
  • Heterogens: K, ACT, NAD, 1DD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4l2oA (A:)
hhhhhhssglvprgshmskiseavkraraafssgrtrplqfriqqlealqrliqeqeqel
vgalaadlhknewnayyeevvyvleeieymiqklpewaadepvektpqtqqdelyihsep
lgvvlvigtwnypfnltiqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlyp
vinggvpettellkerfdhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncd
ldvacrriawgkfmnsgqtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygr
iisarhfqrvmgliegqkvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivc
vrsleeaiqfinqrekplalymfssndkvikkmiaetssggvaandvivhitlhslpfgg
vgnsgmgsyhgkksfetfshrrsclvrplmndeglkvryppspakmtqh

    Sequence, based on observed residues (ATOM records): (download) 
    >4l2oA (A:)
skiseavkraraafssgrtrplqfriqqlealqrliqeqeqelvgalaadlhknewnayy
eevvyvleeieymiqklpewaadepvektpqtqqdelyihseplgvvlvigtwnypfnlt
iqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlypvinggvpettellkerf
dhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncdldvacrriawgkfmnsg
qtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygriisarhfqrvmgliegq
kvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivcvrsleeaiqfinqrekp
lalymfssndkvikkmiaetssggvaandvivhitlhslpfggvgnsgmgsyhgkksfet
fshrrsclvrplmndeglkvryppsp

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4l2oB (B:)
hhhhhhssglvprgshmskiseavkraraafssgrtrplqfriqqlealqrliqeqeqel
vgalaadlhknewnayyeevvyvleeieymiqklpewaadepvektpqtqqdelyihsep
lgvvlvigtwnypfnltiqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlyp
vinggvpettellkerfdhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncd
ldvacrriawgkfmnsgqtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygr
iisarhfqrvmgliegqkvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivc
vrsleeaiqfinqrekplalymfssndkvikkmiaetssggvaandvivhitlhslpfgg
vgnsgmgsyhgkksfetfshrrsclvrplmndeglkvryppspakmtqh

    Sequence, based on observed residues (ATOM records): (download) 
    >4l2oB (B:)
skiseavkraraafssgrtrplqfriqqlealqrliqeqeqelvgalaadlhknewnayy
eevvyvleeieymiqklpewaadepvektpqtqqdelyihseplgvvlvigtwnypfnlt
iqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlypvinggvpettellkerf
dhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncdldvacrriawgkfmnsg
qtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygriisarhfqrvmgliegq
kvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivcvrsleeaiqfinqrekp
lalymfssndkvikkmiaetssggvaandvivhitlhslpfggvgnsgmgsyhgkksfet
fshrrsclvrplmndeglkvryppspa

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >4l2oE (E:)
hhhhhhssglvprgshmskiseavkraraafssgrtrplqfriqqlealqrliqeqeqel
vgalaadlhknewnayyeevvyvleeieymiqklpewaadepvektpqtqqdelyihsep
lgvvlvigtwnypfnltiqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlyp
vinggvpettellkerfdhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncd
ldvacrriawgkfmnsgqtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygr
iisarhfqrvmgliegqkvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivc
vrsleeaiqfinqrekplalymfssndkvikkmiaetssggvaandvivhitlhslpfgg
vgnsgmgsyhgkksfetfshrrsclvrplmndeglkvryppspakmtqh

    Sequence, based on observed residues (ATOM records): (download) 
    >4l2oE (E:)
skiseavkraraafssgrtrplqfriqqlealqrliqeqeqelvgalaadlhknewnayy
eevvyvleeieymiqklpewaadepvektpqtqqdelyihseplgvvlvigtwnypfnlt
iqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlypvinggvpettellkerf
dhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncdldvacrriawgkfmnsg
qtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygriisarhfqrvmgliegq
kvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivcvrsleeaiqfinqrekp
lalymfssndkvikkmiaetssggvaandvivhitlhslpfggvgnsgmgsyhgkksfet
fshrrsclvrplmndeglkvryppspa

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >4l2oG (G:)
hhhhhhssglvprgshmskiseavkraraafssgrtrplqfriqqlealqrliqeqeqel
vgalaadlhknewnayyeevvyvleeieymiqklpewaadepvektpqtqqdelyihsep
lgvvlvigtwnypfnltiqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlyp
vinggvpettellkerfdhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncd
ldvacrriawgkfmnsgqtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygr
iisarhfqrvmgliegqkvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivc
vrsleeaiqfinqrekplalymfssndkvikkmiaetssggvaandvivhitlhslpfgg
vgnsgmgsyhgkksfetfshrrsclvrplmndeglkvryppspakmtqh

    Sequence, based on observed residues (ATOM records): (download) 
    >4l2oG (G:)
skiseavkraraafssgrtrplqfriqqlealqrliqeqeqelvgalaadlhknewnayy
eevvyvleeieymiqklpewaadepvektpqtqqdelyihseplgvvlvigtwnypfnlt
iqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlypvinggvpettellkerf
dhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncdldvacrriawgkfmnsg
qtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygriisarhfqrvmgliegq
kvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivcvrsleeaiqfinqrekp
lalymfssndkvikkmiaetssggvaandvivhitlhslpfggvgnsgmgsyhgkksfet
fshrrsclvrplmndeglkvryppspa