PDB entry 5l13

View 5l13 on RCSB PDB site
Description: Structure of ALDH2 in complex with 2P3
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2016-07-28, released 2017-03-08
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-11-01, with a file datestamp of 2017-10-27.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: N/A
AEROSPACI score: 0.23 (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): Domains in SCOPe 2.07: d5l13a_
  • Chain 'B':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l13b_
  • Chain 'C':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l13c_
  • Chain 'D':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l13d_
  • Chain 'E':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l13e_
  • Chain 'F':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l13f_
  • Chain 'G':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l13g_
  • Chain 'H':
    Compound: aldehyde dehydrogenase, mitochondrial
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH2, ALDM
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l13h_
  • Heterogens: NA, EDO, GAI, 6ZE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5l13A (A:)
    mlraaarfgprlgrrllsaaatqavpapnqqpevfcnqifinnewhdavsrktfptvnps
    tgevicqvaegdkedvdkavkaaraafqlgspwrrmdashrgrllnrladlierdrtyla
    aletldngkpyvisylvdldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcg
    qiipwnfpllmqawklgpalatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpg
    fgptagaaiashedvdkvaftgsteigrviqvaagssnlkrvtlelggkspniimsdadm
    dwaveqahfalffnqgqcccagsrtfvqediydefversvaraksrvvgnpfdskteqgp
    qvdetqfkkilgyintgkqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgp
    vmqilkfktieevvgrannstyglaaavftkdldkanylsqalqagtvwvncydvfgaqs
    pfggykmsgsgrelgeyglqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l13A (A:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5l13B (B:)
    mlraaarfgprlgrrllsaaatqavpapnqqpevfcnqifinnewhdavsrktfptvnps
    tgevicqvaegdkedvdkavkaaraafqlgspwrrmdashrgrllnrladlierdrtyla
    aletldngkpyvisylvdldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcg
    qiipwnfpllmqawklgpalatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpg
    fgptagaaiashedvdkvaftgsteigrviqvaagssnlkrvtlelggkspniimsdadm
    dwaveqahfalffnqgqcccagsrtfvqediydefversvaraksrvvgnpfdskteqgp
    qvdetqfkkilgyintgkqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgp
    vmqilkfktieevvgrannstyglaaavftkdldkanylsqalqagtvwvncydvfgaqs
    pfggykmsgsgrelgeyglqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l13B (B:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5l13C (C:)
    mlraaarfgprlgrrllsaaatqavpapnqqpevfcnqifinnewhdavsrktfptvnps
    tgevicqvaegdkedvdkavkaaraafqlgspwrrmdashrgrllnrladlierdrtyla
    aletldngkpyvisylvdldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcg
    qiipwnfpllmqawklgpalatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpg
    fgptagaaiashedvdkvaftgsteigrviqvaagssnlkrvtlelggkspniimsdadm
    dwaveqahfalffnqgqcccagsrtfvqediydefversvaraksrvvgnpfdskteqgp
    qvdetqfkkilgyintgkqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgp
    vmqilkfktieevvgrannstyglaaavftkdldkanylsqalqagtvwvncydvfgaqs
    pfggykmsgsgrelgeyglqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l13C (C:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5l13D (D:)
    mlraaarfgprlgrrllsaaatqavpapnqqpevfcnqifinnewhdavsrktfptvnps
    tgevicqvaegdkedvdkavkaaraafqlgspwrrmdashrgrllnrladlierdrtyla
    aletldngkpyvisylvdldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcg
    qiipwnfpllmqawklgpalatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpg
    fgptagaaiashedvdkvaftgsteigrviqvaagssnlkrvtlelggkspniimsdadm
    dwaveqahfalffnqgqcccagsrtfvqediydefversvaraksrvvgnpfdskteqgp
    qvdetqfkkilgyintgkqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgp
    vmqilkfktieevvgrannstyglaaavftkdldkanylsqalqagtvwvncydvfgaqs
    pfggykmsgsgrelgeyglqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l13D (D:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5l13E (E:)
    mlraaarfgprlgrrllsaaatqavpapnqqpevfcnqifinnewhdavsrktfptvnps
    tgevicqvaegdkedvdkavkaaraafqlgspwrrmdashrgrllnrladlierdrtyla
    aletldngkpyvisylvdldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcg
    qiipwnfpllmqawklgpalatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpg
    fgptagaaiashedvdkvaftgsteigrviqvaagssnlkrvtlelggkspniimsdadm
    dwaveqahfalffnqgqcccagsrtfvqediydefversvaraksrvvgnpfdskteqgp
    qvdetqfkkilgyintgkqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgp
    vmqilkfktieevvgrannstyglaaavftkdldkanylsqalqagtvwvncydvfgaqs
    pfggykmsgsgrelgeyglqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l13E (E:)
    qavpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavka
    araafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmv
    lkclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalat
    gnvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftg
    steigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccag
    srtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqega
    kllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannsty
    glaaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqay
    tevktvtvkvpqkns
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5l13F (F:)
    mlraaarfgprlgrrllsaaatqavpapnqqpevfcnqifinnewhdavsrktfptvnps
    tgevicqvaegdkedvdkavkaaraafqlgspwrrmdashrgrllnrladlierdrtyla
    aletldngkpyvisylvdldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcg
    qiipwnfpllmqawklgpalatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpg
    fgptagaaiashedvdkvaftgsteigrviqvaagssnlkrvtlelggkspniimsdadm
    dwaveqahfalffnqgqcccagsrtfvqediydefversvaraksrvvgnpfdskteqgp
    qvdetqfkkilgyintgkqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgp
    vmqilkfktieevvgrannstyglaaavftkdldkanylsqalqagtvwvncydvfgaqs
    pfggykmsgsgrelgeyglqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l13F (F:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5l13G (G:)
    mlraaarfgprlgrrllsaaatqavpapnqqpevfcnqifinnewhdavsrktfptvnps
    tgevicqvaegdkedvdkavkaaraafqlgspwrrmdashrgrllnrladlierdrtyla
    aletldngkpyvisylvdldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcg
    qiipwnfpllmqawklgpalatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpg
    fgptagaaiashedvdkvaftgsteigrviqvaagssnlkrvtlelggkspniimsdadm
    dwaveqahfalffnqgqcccagsrtfvqediydefversvaraksrvvgnpfdskteqgp
    qvdetqfkkilgyintgkqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgp
    vmqilkfktieevvgrannstyglaaavftkdldkanylsqalqagtvwvncydvfgaqs
    pfggykmsgsgrelgeyglqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l13G (G:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5l13H (H:)
    mlraaarfgprlgrrllsaaatqavpapnqqpevfcnqifinnewhdavsrktfptvnps
    tgevicqvaegdkedvdkavkaaraafqlgspwrrmdashrgrllnrladlierdrtyla
    aletldngkpyvisylvdldmvlkclryyagwadkyhgktipidgdffsytrhepvgvcg
    qiipwnfpllmqawklgpalatgnvvvmkvaeqtpltalyvanlikeagfppgvvnivpg
    fgptagaaiashedvdkvaftgsteigrviqvaagssnlkrvtlelggkspniimsdadm
    dwaveqahfalffnqgqcccagsrtfvqediydefversvaraksrvvgnpfdskteqgp
    qvdetqfkkilgyintgkqegakllcgggiaadrgyfiqptvfgdvqdgmtiakeeifgp
    vmqilkfktieevvgrannstyglaaavftkdldkanylsqalqagtvwvncydvfgaqs
    pfggykmsgsgrelgeyglqaytevktvtvkvpqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l13H (H:)
    avpapnqqpevfcnqifinnewhdavsrktfptvnpstgevicqvaegdkedvdkavkaa
    raafqlgspwrrmdashrgrllnrladlierdrtylaaletldngkpyvisylvdldmvl
    kclryyagwadkyhgktipidgdffsytrhepvgvcgqiipwnfpllmqawklgpalatg
    nvvvmkvaeqtpltalyvanlikeagfppgvvnivpgfgptagaaiashedvdkvaftgs
    teigrviqvaagssnlkrvtlelggkspniimsdadmdwaveqahfalffnqgqcccags
    rtfvqediydefversvaraksrvvgnpfdskteqgpqvdetqfkkilgyintgkqegak
    llcgggiaadrgyfiqptvfgdvqdgmtiakeeifgpvmqilkfktieevvgrannstyg
    laaavftkdldkanylsqalqagtvwvncydvfgaqspfggykmsgsgrelgeyglqayt
    evktvtvkvpqkns