PDB entry 4i3x

View 4i3x on RCSB PDB site
Description: Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetate and cofactor NAD+
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 2017-11-15, with a file datestamp of 2017-11-10.
Experiment type: XRAY
Resolution: 2.07 Å
R-factor: N/A
AEROSPACI score: 0.29 (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: d4i3xa_
  • 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: d4i3xb_
  • 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: d4i3xc_
  • 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: d4i3xd_
  • 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: d4i3xe_
  • 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: d4i3xf_
  • 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: d4i3xg_
  • 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: d4i3xh_
  • Heterogens: NAD, PAE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4i3xA (A:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3xA (A:)
    vrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryer
    qkillataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifs
    cdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmt
    allladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahyk
    rqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvp
    lvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallpp
    ivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqky
    iaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpwp
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4i3xB (B:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3xB (B:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpwp
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4i3xC (C:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3xC (C:)
    rhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerq
    killataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifsc
    dltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmta
    llladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykr
    qvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvpl
    vlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppi
    vvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyi
    aglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpwp
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4i3xD (D:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3xD (D:)
    vrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryer
    qkillataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifs
    cdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmt
    allladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahyk
    rqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvp
    lvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallpp
    ivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqky
    iaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpwp
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4i3xE (E:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3xE (E:)
    vrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryer
    qkillataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifs
    cdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmt
    allladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahyk
    rqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvp
    lvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallpp
    ivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqky
    iaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpwp
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4i3xF (F:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3xF (F:)
    vrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryer
    qkillataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifs
    cdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmt
    allladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahyk
    rqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvp
    lvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallpp
    ivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqky
    iaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpwp
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4i3xG (G:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3xG (G:)
    hepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerqk
    illataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifscd
    ltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmtal
    lladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykrq
    vlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvplv
    lerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppiv
    vdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyia
    glkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpwp
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4i3xH (H:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3xH (H:)
    vrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryer
    qkillataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifs
    cdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmt
    allladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahyk
    rqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvp
    lvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallpp
    ivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqky
    iaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpwp