PDB entry 4f3x

View 4f3x on RCSB PDB site
Description: Crystal structure of putative aldehyde dehydrogenase from Sinorhizobium meliloti 1021 complexed with NAD
Class: oxidoreductase
Keywords: STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE, NYSGRC, PSI-Biology, New York Structural Genomics Research Consortium, OXIDOREDUCTASE
Deposited on 2012-05-09, released 2012-05-30
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-05-30, with a file datestamp of 2012-05-25.
Experiment type: XRAY
Resolution: 2.01 Å
R-factor: 0.183
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Putative aldehyde dehydrogenase
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: R02268, SMc01656
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q92ND9 (23-497)
      • expression tag (22)
    Domains in SCOPe 2.07: d4f3xa1, d4f3xa2
  • Chain 'B':
    Compound: Putative aldehyde dehydrogenase
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: R02268, SMc01656
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q92ND9 (23-497)
      • expression tag (22)
    Domains in SCOPe 2.07: d4f3xb1, d4f3xb2
  • Chain 'C':
    Compound: Putative aldehyde dehydrogenase
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: R02268, SMc01656
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q92ND9 (23-497)
      • expression tag (22)
    Domains in SCOPe 2.07: d4f3xc1, d4f3xc2
  • Chain 'D':
    Compound: Putative aldehyde dehydrogenase
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: R02268, SMc01656
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4f3xd_
  • Heterogens: NAD, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4f3xA (A:)
    mhhhhhhssgvdlgtenlyfqsmmdtqlligsrfeagteaeehilnprtgagiidlaeas
    haqidaavdaaerafvgwsqttpaersnallkiadaiekeadefaalealncgkpinavk
    ndelpaiidcwrffagavrnlhapaageylpghtsmirrdpigivgsiapwnyplmmmaw
    klapaigggntvvfkpseqtpltalklarliadilpegvvnvitgrgetvgnalinhpkv
    gmvsitgdiatgkkvlaaaaktvkrthlelggkapvivygdadleavvngirtfgyynag
    qdctaacriyaeagiyeklvadltsavstirynldddteneigplisrrqrdrvasfver
    aadqkhieittggrtgsdegfffqptvvagatqedeivrrevfgpvvsvtrftgkddava
    wandsdyglassvwtkdiskamraasrlqygctwinthfmltnemphggikqsgygkdms
    vyaledytavrhiminhg
    

    Sequence, based on observed residues (ATOM records): (download)
    >4f3xA (A:)
    mmdtqlligsrfeagteaeehilnprtgagiidlaeashaqidaavdaaerafvgwsqtt
    paersnallkiadaiekeadefaalealncgkpinavkndelpaiidcwrffagavrnlh
    apaageylpghtsmirrdpigivgsiapwnyplmmmawklapaigggntvvfkpseqtpl
    talklarliadilpegvvnvitgrgetvgnalinhpkvgmvsitgdiatgkkvlaaaakt
    vkrthlelggkapvivygdadleavvngirtfgyynagqdctaacriyaeagiyeklvad
    ltsavstirynldddteneigplisrrqrdrvasfveraadqkhieittggrtgsdegff
    fqptvvagatqedeivrrevfgpvvsvtrftgkddavawandsdyglassvwtkdiskam
    raasrlqygctwinthfmltnemphggikqsgygkdmsvyaledytavrhiminhg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4f3xB (B:)
    mhhhhhhssgvdlgtenlyfqsmmdtqlligsrfeagteaeehilnprtgagiidlaeas
    haqidaavdaaerafvgwsqttpaersnallkiadaiekeadefaalealncgkpinavk
    ndelpaiidcwrffagavrnlhapaageylpghtsmirrdpigivgsiapwnyplmmmaw
    klapaigggntvvfkpseqtpltalklarliadilpegvvnvitgrgetvgnalinhpkv
    gmvsitgdiatgkkvlaaaaktvkrthlelggkapvivygdadleavvngirtfgyynag
    qdctaacriyaeagiyeklvadltsavstirynldddteneigplisrrqrdrvasfver
    aadqkhieittggrtgsdegfffqptvvagatqedeivrrevfgpvvsvtrftgkddava
    wandsdyglassvwtkdiskamraasrlqygctwinthfmltnemphggikqsgygkdms
    vyaledytavrhiminhg
    

    Sequence, based on observed residues (ATOM records): (download)
    >4f3xB (B:)
    mmdtqlligsrfeagteaeehilnprtgagiidlaeashaqidaavdaaerafvgwsqtt
    paersnallkiadaiekeadefaalealncgkpinavkndelpaiidcwrffagavrnlh
    apaageylpghtsmirrdpigivgsiapwnyplmmmawklapaigggntvvfkpseqtpl
    talklarliadilpegvvnvitgrgetvgnalinhpkvgmvsitgdiatgkkvlaaaakt
    vkrthlelggkapvivygdadleavvngirtfgyynagqdctaacriyaeagiyeklvad
    ltsavstirynldddteneigplisrrqrdrvasfveraadqkhieittggrtgsdegff
    fqptvvagatqedeivrrevfgpvvsvtrftgkddavawandsdyglassvwtkdiskam
    raasrlqygctwinthfmltnemphggikqsgygkdmsvyaledytavrhiminhg
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4f3xC (C:)
    mhhhhhhssgvdlgtenlyfqsmmdtqlligsrfeagteaeehilnprtgagiidlaeas
    haqidaavdaaerafvgwsqttpaersnallkiadaiekeadefaalealncgkpinavk
    ndelpaiidcwrffagavrnlhapaageylpghtsmirrdpigivgsiapwnyplmmmaw
    klapaigggntvvfkpseqtpltalklarliadilpegvvnvitgrgetvgnalinhpkv
    gmvsitgdiatgkkvlaaaaktvkrthlelggkapvivygdadleavvngirtfgyynag
    qdctaacriyaeagiyeklvadltsavstirynldddteneigplisrrqrdrvasfver
    aadqkhieittggrtgsdegfffqptvvagatqedeivrrevfgpvvsvtrftgkddava
    wandsdyglassvwtkdiskamraasrlqygctwinthfmltnemphggikqsgygkdms
    vyaledytavrhiminhg
    

    Sequence, based on observed residues (ATOM records): (download)
    >4f3xC (C:)
    mmdtqlligsrfeagteaeehilnprtgagiidlaeashaqidaavdaaerafvgwsqtt
    paersnallkiadaiekeadefaalealncgkpinavkndelpaiidcwrffagavrnlh
    apaageylpghtsmirrdpigivgsiapwnyplmmmawklapaigggntvvfkpseqtpl
    talklarliadilpegvvnvitgrgetvgnalinhpkvgmvsitgdiatgkkvlaaaakt
    vkrthlelggkapvivygdadleavvngirtfgyynagqdctaacriyaeagiyeklvad
    ltsavstirynldddteneigplisrrqrdrvasfveraadqkhieittggrtgsdegff
    fqptvvagatqedeivrrevfgpvvsvtrftgkddavawandsdyglassvwtkdiskam
    raasrlqygctwinthfmltnemphggikqsgygkdmsvyaledytavrhiminhg
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4f3xD (D:)
    mhhhhhhssgvdlgtenlyfqsmmdtqlligsrfeagteaeehilnprtgagiidlaeas
    haqidaavdaaerafvgwsqttpaersnallkiadaiekeadefaalealncgkpinavk
    ndelpaiidcwrffagavrnlhapaageylpghtsmirrdpigivgsiapwnyplmmmaw
    klapaigggntvvfkpseqtpltalklarliadilpegvvnvitgrgetvgnalinhpkv
    gmvsitgdiatgkkvlaaaaktvkrthlelggkapvivygdadleavvngirtfgyynag
    qdctaacriyaeagiyeklvadltsavstirynldddteneigplisrrqrdrvasfver
    aadqkhieittggrtgsdegfffqptvvagatqedeivrrevfgpvvsvtrftgkddava
    wandsdyglassvwtkdiskamraasrlqygctwinthfmltnemphggikqsgygkdms
    vyaledytavrhiminhg
    

    Sequence, based on observed residues (ATOM records): (download)
    >4f3xD (D:)
    mdtqlligsrfeagteaeehilnprtgagiidlaeashaqidaavdaaerafvgwsqttp
    aersnallkiadaiekeadefaalealncgkpinavkndelpaiidcwrffagavrnlha
    paageylpghtsmirrdpigivgsiapwnyplmmmawklapaigggntvvfkpseqtplt
    alklarliadilpegvvnvitgrgetvgnalinhpkvgmvsitgdiatgkkvlaaaaktv
    krthlelggkapvivygdadleavvngirtfgyynagqdctaacriyaeagiyeklvadl
    tsavstirynldddteneigplisrrqrdrvasfveraadqkhieittggrtgsdegfff
    qptvvagatqedeivrrevfgpvvsvtrftgkddavawandsdyglassvwtkdiskamr
    aasrlqygctwinthfmltnemphggikqsgygkdmsvyaledytavrhiminhg