PDB entry 4i3t

View 4i3t on RCSB PDB site
Description: Structure of phosphonoacetaldehyde dehydrogenase in the apo state
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: 0.2
AEROSPACI score: 0.34 (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: d4i3ta_
  • 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: d4i3tb_
  • 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: d4i3tc_
  • 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: d4i3td_
  • 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: d4i3te_
  • 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: d4i3tf_
  • 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: d4i3tg_
  • 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: d4i3th_
  • Heterogens: PO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4i3tA (A:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3tA (A:)
    rhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerq
    killataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifsc
    dltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmta
    llladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykr
    qvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvpl
    vlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppi
    vvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyi
    aglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4i3tB (B:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3tB (B:)
    rhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerq
    killataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifsc
    dltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmta
    llladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykr
    qvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvpl
    vlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppi
    vvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyi
    aglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4i3tC (C:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3tC (C:)
    rhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerq
    killataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifsc
    dltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmta
    llladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykr
    qvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvpl
    vlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppi
    vvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyi
    aglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4i3tD (D:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3tD (D:)
    rhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerq
    killataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifsc
    dltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmta
    llladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykr
    qvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvpl
    vlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppi
    vvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyi
    aglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >4i3tE (E:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3tE (E:)
    rhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerq
    killataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifsc
    dltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmta
    llladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykr
    qvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvpl
    vlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppi
    vvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyi
    aglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >4i3tF (F:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3tF (F:)
    rhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerq
    killataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifsc
    dltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmta
    llladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykr
    qvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvpl
    vlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppi
    vvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyi
    aglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >4i3tG (G:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3tG (G:)
    rhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerq
    killataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifsc
    dltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmta
    llladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykr
    qvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvpl
    vlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppi
    vvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyi
    aglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >4i3tH (H:)
    gshmtnaevtiavrhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaia
    aayqpkltryerqkillataealaarkeeisdvitlelgiskadslyevgrafdvftlag
    qmcirddgeifscdltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnnc
    vvvkpteltpmtallladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvp
    vgkliaanahykrqvlelggndpliilndlsdddlaraadlavagatknsgqrctavkri
    lcqesvadrfvplvlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadil
    yhpgrsgallppivvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssg
    vctndyrrmqkyiaglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnv
    ktfslpwp
    

    Sequence, based on observed residues (ATOM records): (download)
    >4i3tH (H:)
    rhepmriagrlvdtddrvevrypwndtvvgtvpagraehareafaiaaayqpkltryerq
    killataealaarkeeisdvitlelgiskadslyevgrafdvftlagqmcirddgeifsc
    dltphgkarkiftmrepltaisaitpfnhplnmvahkvapaiatnncvvvkpteltpmta
    llladilyeaglppemlsvvtgwpadigmemitnphvdlvtftgsvpvgkliaanahykr
    qvlelggndpliilndlsdddlaraadlavagatknsgqrctavkrilcqesvadrfvpl
    vlerakrlrfgdpmdrstdlgtvihekaaalfeervmraaeegadilyhpgrsgallppi
    vvdrvphqsdlvleetfgpiipivrvpddddatitlsnstafglssgvctndyrrmqkyi
    aglkvgtvniwevpgyriemspfggikdsgngykegvieamksftnvktfslpw