PDB entry 5q0a

View 5q0a 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-cyanopyrazin-2-yl)-3-[3-(difluoromethoxy)phenyl]sulfonylurea
Class: HYDROLASE/HYDROLASE inhibitor
Keywords: D3R docking, HYDROLASE-HYDROLASE inhibitor complex
Deposited on 2017-04-11, released 2019-01-09
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-01-16, with a file datestamp of 2019-01-11.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: N/A
AEROSPACI score: 0.25 (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 2.07: d5q0aa_
  • 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 2.07: d5q0ab_
  • 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 2.07: d5q0ac_
  • 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 2.07: d5q0ad_
  • Heterogens: 96D, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5q0aA (A:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0aA (A:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagvkkldvl
    sndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtif
    giyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilv
    dkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtl
    vyggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapv
    ilgspddvleflkvyekhs
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5q0aB (B:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0aB (B:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5q0aC (C:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0aC (C:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkkldvls
    ndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifg
    iyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvd
    kdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlv
    yggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvi
    lgspddvleflkvyekhs
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5q0aD (D:)
    madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
    agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
    ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
    gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
    ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
    eavldviptdihqrapvilgspddvleflkvyekhsaq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0aD (D:)
    dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
    dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
    yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
    dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
    ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
    gspddvleflkvyekhs