PDB entry 3n81

View 3n81 on RCSB PDB site
Description: T244A mutant of Human mitochondrial aldehyde dehydrogenase, apo form
Class: oxidoreductase
Keywords: oxidoreductase, ALDH, Rossmann fold
Deposited on 2010-05-27, released 2011-04-13
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-08, with a file datestamp of 2017-11-03.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: N/A
AEROSPACI score: 0.4 (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 mutation (243)
    Domains in SCOPe 2.07: d3n81a_
  • 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 mutation (243)
    Domains in SCOPe 2.07: d3n81b_
  • 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 mutation (243)
    Domains in SCOPe 2.07: d3n81c_
  • 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 mutation (243)
    Domains in SCOPe 2.07: d3n81d_
  • 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 mutation (243)
    Domains in SCOPe 2.07: d3n81e_
  • 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 mutation (243)
    Domains in SCOPe 2.07: d3n81f_
  • 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 mutation (243)
    Domains in SCOPe 2.07: d3n81g_
  • 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 mutation (243)
    Domains in SCOPe 2.07: d3n81h_
  • Heterogens: NA, GAI, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3n81A (A:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vafagsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n81A (A:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvafags
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3n81B (B:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vafagsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n81B (B:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvafags
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3n81C (C:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vafagsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n81C (C:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvafags
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3n81D (D:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vafagsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n81D (D:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvafags
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >3n81E (E:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vafagsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n81E (E:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvafags
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >3n81F (F:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vafagsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n81F (F:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvafags
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >3n81G (G:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vafagsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n81G (G:)
    vpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaar
    aafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvlk
    clryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatgn
    vvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvafagst
    eigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccagsr
    tfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegakl
    lcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstygl
    aaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayte
    vktvtvkvpqkns
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >3n81H (H:)
    saaatqavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvd
    kavkaaraafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylv
    dldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklg
    palatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdk
    vafagsteigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgq
    cccagsrtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintg
    kqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgra
    nnstyglaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgey
    glqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >3n81H (H:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvafags
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns