PDB entry 5q04

View 5q04 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-5-chlorothiophen-2-yl)sulfonyl-3-(5-bromo-1,3-thiazol-2-yl)urea
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: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.28 (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: d5q04a_
  • 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: d5q04b_
  • 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: d5q04c_
  • 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: d5q04d_
  • 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: d5q04e_
  • 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: d5q04f_
  • 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: d5q04g_
  • 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: d5q04h_
  • Heterogens: 95P, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5q04A (A:)
madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
eavldviptdihqrapvilgspddvleflkvyekhsaq

    Sequence, based on observed residues (ATOM records): (download) 
    >5q04A (A:)
dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagvkkldvl
sndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtif
giyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilv
dkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtl
vyggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapv
ilgspddvleflkvyekhs

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5q04B (B:)
madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
eavldviptdihqrapvilgspddvleflkvyekhsaq

    Sequence, based on observed residues (ATOM records): (download) 
    >5q04B (B:)
dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
gspddvleflkvyekhs

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5q04C (C:)
madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
eavldviptdihqrapvilgspddvleflkvyekhsaq

    Sequence, based on observed residues (ATOM records): (download) 
    >5q04C (C:)
dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
gspddvleflkvyekhs

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5q04D (D:)
madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
eavldviptdihqrapvilgspddvleflkvyekhsaq

    Sequence, based on observed residues (ATOM records): (download) 
    >5q04D (D:)
dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
gspddvleflkvyekhs

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >5q04E (E:)
madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
eavldviptdihqrapvilgspddvleflkvyekhsaq

    Sequence, based on observed residues (ATOM records): (download) 
    >5q04E (E:)
dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagvkkldvl
sndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtif
giyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilv
dkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtl
vyggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapv
ilgspddvleflkvyekhs

  • Chain 'F':
    Sequence, based on SEQRES records: (download) 
    >5q04F (F:)
madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
eavldviptdihqrapvilgspddvleflkvyekhsaq

    Sequence, based on observed residues (ATOM records): (download) 
    >5q04F (F:)
dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
gspddvleflkvyekhs

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >5q04G (G:)
madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
eavldviptdihqrapvilgspddvleflkvyekhsaq

    Sequence, based on observed residues (ATOM records): (download) 
    >5q04G (G:)
dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
gspddvleflkvyekhs

  • Chain 'H':
    Sequence, based on SEQRES records: (download) 
    >5q04H (H:)
madqapfdtdvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygi
agstnvtgdqvkkldvlsndlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdp
ldgssnidclvsvgtifgiyrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdc
gvncfmldpaigefilvdkdvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsap
ygaryvgsmvadvhrtlvyggiflypankkspngklrllyecnpmayvmekaggmattgk
eavldviptdihqrapvilgspddvleflkvyekhsaq

    Sequence, based on observed residues (ATOM records): (download) 
    >5q04H (H:)
dvntltrfvmeegrkargtgeltqllnslctavkaissavrkagiahlygiagkldvlsn
dlvmnmlkssfatcvlvseedkhaiivepekrgkyvvcfdpldgssnidclvsvgtifgi
yrkkstdepsekdalqpgrnlvaagyalygsatmlvlamdcgvncfmldpaigefilvdk
dvkikkkgkiyslnegyakdfdpavteyiqrkkfppdnsapygaryvgsmvadvhrtlvy
ggiflypankkspngklrllyecnpmayvmekaggmattgkeavldviptdihqrapvil
gspddvleflkvyekhs