PDB entry 5pzy

View 5pzy 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-(2-chlorophenyl)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: 2.21 Å
R-factor: N/A
AEROSPACI score: 0.33 (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: d5pzya_
  • 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: d5pzyb_
  • 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: d5pzyc_
  • 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: d5pzyd_
  • 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: d5pzye_
  • 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: d5pzyf_
  • 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: d5pzyg_
  • 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: d5pzyh_
  • Heterogens: 94V, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >5pzyA (A:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagvkkldvl
    sndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtif
    giyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilv
    dkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtl
    vyggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapv
    ilgspddvleflkvyekhs
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5pzyB (B:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5pzyC (C:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5pzyD (D:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5pzyE (E:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagvkkldvl
    sndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtif
    giyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilv
    dkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtl
    vyggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapv
    ilgspddvleflkvyekhs
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5pzyF (F:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5pzyG (G:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >5pzyH (H:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs