PDB entry 3inl

View 3inl on RCSB PDB site
Description: Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with agonist Alda-1
Class: oxidoreductase
Keywords: oxidoreductase, ALDH, E487K, Rossmann fold, Alda-1, activator, Mitochondrion, NAD, Transit peptide
Deposited on 2009-08-12, released 2010-01-12
The last revision prior to the SCOPe 2.04 freeze date was dated 2010-08-11, with a file datestamp of 2010-08-06.
Experiment type: XRAY
Resolution: 1.86 Å
R-factor: 0.136
AEROSPACI score: 0.54 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05091 (Start-499)
      • engineered (301)
      • engineered (486)
    Domains in SCOPe 2.04: d3inla_
  • Chain 'B':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05091 (Start-499)
      • engineered (301)
      • engineered (486)
    Domains in SCOPe 2.04: d3inlb_
  • Chain 'C':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05091 (Start-499)
      • engineered (301)
      • engineered (486)
    Domains in SCOPe 2.04: d3inlc_
  • Chain 'D':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05091 (Start-499)
      • engineered (301)
      • engineered (486)
    Domains in SCOPe 2.04: d3inld_
  • Chain 'E':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05091 (Start-499)
      • engineered (301)
      • engineered (486)
    Domains in SCOPe 2.04: d3inle_
  • Chain 'F':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05091 (Start-499)
      • engineered (301)
      • engineered (486)
    Domains in SCOPe 2.04: d3inlf_
  • Chain 'G':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05091 (Start-499)
      • engineered (301)
      • engineered (486)
    Domains in SCOPe 2.04: d3inlg_
  • Chain 'H':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05091 (Start-499)
      • engineered (301)
      • engineered (486)
    Domains in SCOPe 2.04: d3inlh_
  • Heterogens: NA, EDO, BXB, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3inlA (A:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cscagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytkvktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3inlA (A:)
    qavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavka
    araafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmv
    lkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalat
    gnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftg
    steigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcscag
    srtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqega
    kllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannsty
    glaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqay
    tkvktvtvkvpqkns
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3inlB (B:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cscagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytkvktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3inlB (B:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcscags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    kvktvtvkvpqkns
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3inlC (C:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cscagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytkvktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3inlC (C:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcscags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    kvktvtvkvpqkns
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3inlD (D:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cscagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytkvktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3inlD (D:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcscags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    kvktvtvkvpqkns
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3inlE (E:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cscagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytkvktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3inlE (E:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcscags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    kvktvtvkvpqkns
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3inlF (F:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cscagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytkvktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3inlF (F:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcscags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    kvktvtvkvpqkns
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3inlG (G:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cscagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytkvktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3inlG (G:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcscags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    kvktvtvkvpqkns
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3inlH (H:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vaftgsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cscagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytkvktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3inlH (H:)
    qavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavka
    araafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmv
    lkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalat
    gnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftg
    steigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcscag
    srtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqega
    kllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannsty
    glaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqay
    tkvktvtvkvpqkns