PDB entry 3szb

View 3szb on RCSB PDB site
Description: Crystal structure of human ALDH3A1 modified with the beta-elimination product of Aldi-1; 1-phenyl- 2-propen-1-one
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: ALDH, Aldi-1, inhibitor, Rossmann Fold, Covalent Adduct, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2011-07-18, released 2011-11-02
The last revision prior to the SCOPe 2.02 freeze date was dated 2011-12-28, with a file datestamp of 2011-12-23.
Experiment type: XRAY
Resolution: 1.51 Å
R-factor: 0.18
AEROSPACI score: 0.63 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: aldehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH3A1, ALDH3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30838
      • variant (149)
    Domains in SCOPe 2.02: d3szba_
  • Chain 'B':
    Compound: aldehyde dehydrogenase
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH3A1, ALDH3
    Database cross-references and differences (RAF-indexed):
    • Uniprot P30838 (Start-468)
      • variant (149)
    Domains in SCOPe 2.02: d3szbb_
  • Heterogens: K, ACT, I1E, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3szbA (A:)
hhhhhhssglvprgshmskiseavkraraafssgrtrplqfriqqlealqrliqeqeqel
vgalaadlhknewnayyeevvyvleeieymiqklpewaadepvektpqtqqdelyihsep
lgvvlvigtwnypfnltiqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlyp
vinggvpettellkerfdhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncd
ldvacrriawgkfmnsgqtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygr
iisarhfqrvmgliegqkvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivc
vrsleeaiqfinqrekplalymfssndkvikkmiaetssggvaandvivhitlhslpfgg
vgnsgmgsyhgkksfetfshrrsclvrplmndeglkvryppspakmtqh

    Sequence, based on observed residues (ATOM records): (download) 
    >3szbA (A:)
skiseavkraraafssgrtrplqfriqqlealqrliqeqeqelvgalaadlhknewnayy
eevvyvleeieymiqklpewaadepvektpqtqqdelyihseplgvvlvigtwnypfnlt
iqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlypvinggvpettellkerf
dhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncdldvacrriawgkfmnsg
qtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygriisarhfqrvmgliegq
kvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivcvrsleeaiqfinqrekp
lalymfssndkvikkmiaetssggvaandvivhitlhslpfggvgnsgmgsyhgkksfet
fshrrsclvrplmndeglkvryppspa

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3szbB (B:)
hhhhhhssglvprgshmskiseavkraraafssgrtrplqfriqqlealqrliqeqeqel
vgalaadlhknewnayyeevvyvleeieymiqklpewaadepvektpqtqqdelyihsep
lgvvlvigtwnypfnltiqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlyp
vinggvpettellkerfdhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncd
ldvacrriawgkfmnsgqtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygr
iisarhfqrvmgliegqkvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivc
vrsleeaiqfinqrekplalymfssndkvikkmiaetssggvaandvivhitlhslpfgg
vgnsgmgsyhgkksfetfshrrsclvrplmndeglkvryppspakmtqh

    Sequence, based on observed residues (ATOM records): (download) 
    >3szbB (B:)
skiseavkraraafssgrtrplqfriqqlealqrliqeqeqelvgalaadlhknewnayy
eevvyvleeieymiqklpewaadepvektpqtqqdelyihseplgvvlvigtwnypfnlt
iqpmvgaiaagnavvlkpselsenmasllatiipqyldkdlypvinggvpettellkerf
dhilytgstgvgkiimtaaakhltpvtlelggkspcyvdkncdldvacrriawgkfmnsg
qtcvapdyilcdpsiqnqiveklkkslkefygedakksrdygriisarhfqrvmgliegq
kvayggtgdaatryiaptiltdvdpqspvmqeeifgpvlpivcvrsleeaiqfinqrekp
lalymfssndkvikkmiaetssggvaandvivhitlhslpfggvgnsgmgsyhgkksfet
fshrrsclvrplmndeglkvryppspakmtqh