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 2.08 freeze date was dated 2021-02-10, with a file datestamp of 2021-02-05.
Experiment type: XRAY
Resolution: 2.3 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: 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 2.08: 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 2.08: 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 2.08: 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