PDB entry 5l2o

View 5l2o on RCSB PDB site
Description: Crystal Structure of ALDH1A1 in complex with BUC22
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: ALDH1A1 Inhibitor, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2016-08-02, released 2017-03-08
The last revision prior to the SCOPe 2.07 freeze date was dated 2017-09-20, with a file datestamp of 2017-09-15.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: N/A
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Retinal dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A1, ALDC, ALDH1, PUMB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l2oa_
  • Chain 'B':
    Compound: Retinal dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A1, ALDC, ALDH1, PUMB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l2ob_
  • Chain 'C':
    Compound: Retinal dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A1, ALDC, ALDH1, PUMB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l2oc_
  • Chain 'D':
    Compound: Retinal dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A1, ALDC, ALDH1, PUMB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l2od_
  • Chain 'E':
    Compound: Retinal dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A1, ALDC, ALDH1, PUMB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l2oe_
  • Chain 'F':
    Compound: Retinal dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A1, ALDC, ALDH1, PUMB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l2of_
  • Chain 'G':
    Compound: Retinal dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A1, ALDC, ALDH1, PUMB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l2og_
  • Chain 'H':
    Compound: Retinal dehydrogenase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: ALDH1A1, ALDC, ALDH1, PUMB1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d5l2oh_
  • Heterogens: 6ZW, YB, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5l2oA (A:)
    msssgtpdlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedv
    dkavkaarqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnayl
    ndlagciktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwki
    gpalscgntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdid
    kvaftgstevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqg
    qcciaasrifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildlies
    gkkegaklecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikr
    anntfyglsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelge
    ygfheytevktvtvkisqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l2oA (A:)
    dlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedvdkavkaa
    rqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnaylndlagci
    ktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwkigpalscg
    ntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdidkvaftgs
    tevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqgqcciaas
    rifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildliesgkkegak
    lecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikranntfyg
    lsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelgeygfheyt
    evktvtvkisqkns
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5l2oB (B:)
    msssgtpdlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedv
    dkavkaarqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnayl
    ndlagciktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwki
    gpalscgntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdid
    kvaftgstevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqg
    qcciaasrifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildlies
    gkkegaklecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikr
    anntfyglsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelge
    ygfheytevktvtvkisqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l2oB (B:)
    dlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedvdkavkaa
    rqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnaylndlagci
    ktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwkigpalscg
    ntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdidkvaftgs
    tevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqgqcciaas
    rifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildliesgkkegak
    lecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikranntfyg
    lsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelgeygfheyt
    evktvtvkisqkns
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5l2oC (C:)
    msssgtpdlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedv
    dkavkaarqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnayl
    ndlagciktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwki
    gpalscgntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdid
    kvaftgstevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqg
    qcciaasrifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildlies
    gkkegaklecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikr
    anntfyglsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelge
    ygfheytevktvtvkisqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l2oC (C:)
    lpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedvdkavkaar
    qafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnaylndlagcik
    tlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwkigpalscgn
    tvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdidkvaftgst
    evgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqgqcciaasr
    ifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildliesgkkegakl
    ecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikranntfygl
    sagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelgeygfheyte
    vktvtvkisqkns
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5l2oD (D:)
    msssgtpdlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedv
    dkavkaarqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnayl
    ndlagciktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwki
    gpalscgntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdid
    kvaftgstevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqg
    qcciaasrifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildlies
    gkkegaklecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikr
    anntfyglsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelge
    ygfheytevktvtvkisqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l2oD (D:)
    lpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedvdkavkaar
    qafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnaylndlagcik
    tlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwkigpalscgn
    tvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdidkvaftgst
    evgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqgqcciaasr
    ifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildliesgkkegakl
    ecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikranntfygl
    sagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelgeygfheyte
    vktvtvkisqkns
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5l2oE (E:)
    msssgtpdlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedv
    dkavkaarqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnayl
    ndlagciktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwki
    gpalscgntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdid
    kvaftgstevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqg
    qcciaasrifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildlies
    gkkegaklecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikr
    anntfyglsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelge
    ygfheytevktvtvkisqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l2oE (E:)
    lpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedvdkavkaar
    qafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnaylndlagcik
    tlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwkigpalscgn
    tvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdidkvaftgst
    evgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqgqcciaasr
    ifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildliesgkkegakl
    ecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikranntfygl
    sagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelgeygfheyte
    vktvtvkisqkns
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5l2oF (F:)
    msssgtpdlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedv
    dkavkaarqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnayl
    ndlagciktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwki
    gpalscgntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdid
    kvaftgstevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqg
    qcciaasrifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildlies
    gkkegaklecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikr
    anntfyglsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelge
    ygfheytevktvtvkisqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l2oF (F:)
    lpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedvdkavkaar
    qafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnaylndlagcik
    tlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwkigpalscgn
    tvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdidkvaftgst
    evgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqgqcciaasr
    ifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildliesgkkegakl
    ecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikranntfygl
    sagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelgeygfheyte
    vktvtvkisqkns
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5l2oG (G:)
    msssgtpdlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedv
    dkavkaarqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnayl
    ndlagciktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwki
    gpalscgntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdid
    kvaftgstevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqg
    qcciaasrifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildlies
    gkkegaklecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikr
    anntfyglsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelge
    ygfheytevktvtvkisqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l2oG (G:)
    dlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedvdkavkaa
    rqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnaylndlagci
    ktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwkigpalscg
    ntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdidkvaftgs
    tevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqgqcciaas
    rifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildliesgkkegak
    lecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikranntfyg
    lsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelgeygfheyt
    evktvtvkisqkns
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5l2oH (H:)
    msssgtpdlpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedv
    dkavkaarqafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnayl
    ndlagciktlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwki
    gpalscgntvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdid
    kvaftgstevgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqg
    qcciaasrifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildlies
    gkkegaklecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikr
    anntfyglsagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelge
    ygfheytevktvtvkisqkns
    

    Sequence, based on observed residues (ATOM records): (download)
    >5l2oH (H:)
    lpvlltdlkiqytkifinnewhdsvsgkkfpvfnpateeelcqveegdkedvdkavkaar
    qafqigspwrtmdasergrllykladlierdrlllatmesmnggklysnaylndlagcik
    tlrycagwadkiqgrtipidgnfftytrhepigvcgqiipwnfplvmliwkigpalscgn
    tvvvkpaeqtpltalhvaslikeagfppgvvnivpgygptagaaisshmdidkvaftgst
    evgklikeaagksnlkrvtlelggkspcivladadldnavefahhgvfyhqgqcciaasr
    ifveesiydefvrrsverakkyilgnpltpgvtqgpqidkeqydkildliesgkkegakl
    ecgggpwgnkgyfvqptvfsnvtdemriakeeifgpvqqimkfkslddvikranntfygl
    sagvftkdidkaitissalqagtvwvncygvvsaqcpfggfkmsgngrelgeygfheyte
    vktvtvkisqkns