PDB entry 4i3u

View 4i3u on RCSB PDB site
Description: Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetaldehyde
Class: oxidoreductase
Keywords: aldehyde dehydrogenase, Phosphonate catabolism, OXIDOREDUCTASE
Deposited on 2012-11-26, released 2013-11-27
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-02-05, with a file datestamp of 2014-01-31.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.212
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Aldehyde dehydrogenase (NAD+)
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: phnY, RB0979, SM_b21539
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i3ua_
  • Chain 'B':
    Compound: Aldehyde dehydrogenase (NAD+)
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: phnY, RB0979, SM_b21539
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i3ub_
  • Chain 'C':
    Compound: Aldehyde dehydrogenase (NAD+)
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: phnY, RB0979, SM_b21539
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i3uc_
  • Chain 'D':
    Compound: Aldehyde dehydrogenase (NAD+)
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: phnY, RB0979, SM_b21539
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i3ud_
  • Chain 'E':
    Compound: Aldehyde dehydrogenase (NAD+)
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: phnY, RB0979, SM_b21539
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i3ue_
  • Chain 'F':
    Compound: Aldehyde dehydrogenase (NAD+)
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: phnY, RB0979, SM_b21539
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i3uf_
  • Chain 'G':
    Compound: Aldehyde dehydrogenase (NAD+)
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: phnY, RB0979, SM_b21539
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i3ug_
  • Chain 'H':
    Compound: Aldehyde dehydrogenase (NAD+)
    Species: Sinorhizobium meliloti [TaxId:266834]
    Gene: phnY, RB0979, SM_b21539
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4i3uh_
  • Heterogens: POA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4i3uA (A:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3uA (A:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4i3uB (B:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3uB (B:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4i3uC (C:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3uC (C:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4i3uD (D:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3uD (D:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4i3uE (E:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3uE (E:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4i3uF (F:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3uF (F:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4i3uG (G:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3uG (G:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4i3uH (H:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3uH (H:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw