PDB entry 5pzt

View 5pzt on RCSB PDB site
Description: Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-(3-ethyl-4-phenylphenyl)sulfonylurea
Class: hydrolase/hydrolase inhibitor
Keywords: D3R docking, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2017-04-18, released 2019-01-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-02-10, with a file datestamp of 2021-02-05.
Experiment type: XRAY
Resolution: 2.8 Å
R-factor: N/A
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Fructose-1,6-bisphosphatase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP1, hCG_1640493
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5pzta_
  • Chain 'B':
    Compound: Fructose-1,6-bisphosphatase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP1, hCG_1640493
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5pztb_
  • Chain 'C':
    Compound: Fructose-1,6-bisphosphatase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP1, hCG_1640493
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5pztc_
  • Chain 'D':
    Compound: Fructose-1,6-bisphosphatase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP1, hCG_1640493
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5pztd_
  • Chain 'E':
    Compound: Fructose-1,6-bisphosphatase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP1, hCG_1640493
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5pzte_
  • Chain 'F':
    Compound: Fructose-1,6-bisphosphatase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP1, hCG_1640493
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5pztf_
  • Chain 'G':
    Compound: Fructose-1,6-bisphosphatase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP1, hCG_1640493
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5pztg_
  • Chain 'H':
    Compound: Fructose-1,6-bisphosphatase 1
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP1, hCG_1640493
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5pzth_
  • Heterogens: 947, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5pztA (A:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5pztA (A:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiavkkldvlsndlvmn
    mlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgiyrkks
    tdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdkdvkik
    kkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvyggifl
    ypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvilgspdd
    vleflkvyekhs
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5pztB (B:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5pztB (B:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiakldvlsndlvmnml
    kssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgiyrkkstd
    epsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdkdvkikkk
    gkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvyggiflyp
    ankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvilgspddvl
    eflkvyekhs
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5pztC (C:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5pztC (C:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiakldvlsndlvmnml
    kssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgiyrkkstd
    epsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdkdvkikkk
    gkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvyggiflyp
    ankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvilgspddvl
    eflkvyekhs
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5pztD (D:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5pztD (D:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiakldvlsndlvmnml
    kssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgiyrkkstd
    epsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdkdvkikkk
    gkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvyggiflyp
    ankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvilgspddvl
    eflkvyekhs
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5pztE (E:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5pztE (E:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiavkkldvlsndlvmn
    mlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgiyrkks
    tdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdkdvkik
    kkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvyggifl
    ypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvilgspdd
    vleflkvyekhs
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5pztF (F:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5pztF (F:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiakldvlsndlvmnml
    kssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgiyrkkstd
    epsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdkdvkikkk
    gkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvyggiflyp
    ankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvilgspddvl
    eflkvyekhs
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5pztG (G:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5pztG (G:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiakldvlsndlvmnml
    kssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgiyrkkstd
    epsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdkdvkikkk
    gkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvyggiflyp
    ankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvilgspddvl
    eflkvyekhs
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5pztH (H:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5pztH (H:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiakldvlsndlvmnml
    kssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgiyrkkstd
    epsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdkdvkikkk
    gkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvyggiflyp
    ankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvilgspddvl
    eflkvyekhs