PDB entry 4l1o

View 4l1o on RCSB PDB site
Description: Crystal structure of human ALDH3A1 with inhibitor 1-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-1H-indole-2,3-dione
Class: OXIDOREDUCTASE/Inhibitor
Keywords: Catalyzes benzaldehyde, Rossmann fold, Dehydrogenase, NADP+ binding, OXIDOREDUCTASE-Inhibitor complex
Deposited on 2013-06-03, released 2014-04-16
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: 2.3 Å
R-factor: 0.179
AEROSPACI score: 0.32 (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: d4l1oa_
  • Chain 'B':
    Compound: aldehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH3, ALDH3A1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30838 (Start-468)
      • natural variant (149)
    Domains in SCOPe 2.08: d4l1ob_
  • Heterogens: 1VL, K, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4l1oA (A:)
hhhhhhssglvprgshmskiseavkraraafssgrtrplqfriqqlealqrliqeqeqel
vgalaadlhknewnayyeevvyvleeieymiqklpewaadepvektpqtqqdelyihsep
lgvvlvigtwnypfnltiqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlyp
vinggvpettellkerfdhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncd
ldvacrriawgkfmnsgqtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygr
iisarhfqrvmgliegqkvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivc
vrsleeaiqfinqrekplalymfssndkvikkmiaetssggvaandvivhitlhslpfgg
vgnsgmgsyhgkksfetfshrrsclvrplmndeglkvryppspakmtqh

    Sequence, based on observed residues (ATOM records): (download) 
    >4l1oA (A:)
skiseavkraraafssgrtrplqfriqqlealqrliqeqeqelvgalaadlhknewnayy
eevvyvleeieymiqklpewaadepvektpqtqqdelyihseplgvvlvigtwnypfnlt
iqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlypvinggvpettellkerf
dhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncdldvacrriawgkfmnsg
qtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygriisarhfqrvmgliegq
kvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivcvrsleeaiqfinqrekp
lalymfssndkvikkmiaetssggvaandvivhitlhslpfggvgnsgmgsyhgkksfet
fshrrsclvrplmndeglkvryppspa

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4l1oB (B:)
hhhhhhssglvprgshmskiseavkraraafssgrtrplqfriqqlealqrliqeqeqel
vgalaadlhknewnayyeevvyvleeieymiqklpewaadepvektpqtqqdelyihsep
lgvvlvigtwnypfnltiqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlyp
vinggvpettellkerfdhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncd
ldvacrriawgkfmnsgqtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygr
iisarhfqrvmgliegqkvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivc
vrsleeaiqfinqrekplalymfssndkvikkmiaetssggvaandvivhitlhslpfgg
vgnsgmgsyhgkksfetfshrrsclvrplmndeglkvryppspakmtqh

    Sequence, based on observed residues (ATOM records): (download) 
    >4l1oB (B:)
skiseavkraraafssgrtrplqfriqqlealqrliqeqeqelvgalaadlhknewnayy
eevvyvleeieymiqklpewaadepvektpqtqqdelyihseplgvvlvigtwnypfnlt
iqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlypvinggvpettellkerf
dhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncdldvacrriawgkfmnsg
qtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygriisarhfqrvmgliegq
kvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivcvrsleeaiqfinqrekp
lalymfssndkvikkmiaetssggvaandvivhitlhslpfggvgnsgmgsyhgkksfet
fshrrsclvrplmndeglkvryppspakmtqh