PDB entry 5q07

View 5q07 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-(4-bromo-6-morpholin-4-ylpyridin-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea
Class: HYDROLASE/HYDROLASE inhibitor
Keywords: D3R docking, HYDROLASE-HYDROLASE inhibitor complex
Deposited on 2017-04-16, 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: 2.42 Å
R-factor: N/A
AEROSPACI score: 0.29 (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: d5q07a_
  • 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: d5q07b_
  • 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: d5q07c_
  • 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: d5q07d_
  • 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: d5q07e_
  • 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: d5q07f_
  • 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: d5q07g_
  • 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: d5q07h_
  • Heterogens: 95Y, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5q07A (A:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q07A (A:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagvkkldvl
    sndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtif
    giyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilv
    dkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtl
    vyggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapv
    ilgspddvleflkvyekhs
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5q07B (B:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q07B (B:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5q07C (C:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q07C (C:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5q07D (D:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q07D (D:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5q07E (E:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q07E (E:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagvkkldvl
    sndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtif
    giyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilv
    dkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtl
    vyggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapv
    ilgspddvleflkvyekhs
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5q07F (F:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q07F (F:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5q07G (G:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q07G (G:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5q07H (H:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q07H (H:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs