PDB entry 5q0c

View 5q0c 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-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylurea and with fructose-2,6-diphosphate
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 2.07 freeze date was dated 2019-01-16, with a file datestamp of 2019-01-11.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: N/A
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Fructose-1,6-bisphosphatase isozyme 2
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00757
      • conflict (85)
    Domains in SCOPe 2.07: d5q0ca_
  • Chain 'B':
    Compound: Fructose-1,6-bisphosphatase isozyme 2
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00757
      • conflict (85)
    Domains in SCOPe 2.07: d5q0cb_
  • Chain 'C':
    Compound: Fructose-1,6-bisphosphatase isozyme 2
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00757
      • conflict (85)
    Domains in SCOPe 2.07: d5q0cc_
  • Chain 'D':
    Compound: Fructose-1,6-bisphosphatase isozyme 2
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00757
      • conflict (85)
    Domains in SCOPe 2.07: d5q0cd_
  • Chain 'E':
    Compound: Fructose-1,6-bisphosphatase isozyme 2
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00757
      • conflict (85)
    Domains in SCOPe 2.07: d5q0ce_
  • Chain 'F':
    Compound: Fructose-1,6-bisphosphatase isozyme 2
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00757
      • conflict (85)
    Domains in SCOPe 2.07: d5q0cf_
  • Chain 'G':
    Compound: Fructose-1,6-bisphosphatase isozyme 2
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00757
      • conflict (85)
    Domains in SCOPe 2.07: d5q0cg_
  • Chain 'H':
    Compound: Fructose-1,6-bisphosphatase isozyme 2
    Species: Homo sapiens [TaxId:9606]
    Gene: FBP2
    Database cross-references and differences (RAF-indexed):
    • Uniprot O00757
      • conflict (85)
    Domains in SCOPe 2.07: d5q0ch_
  • Heterogens: 96G, FDP, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5q0cA (A:)
    mtdrspfetdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygi
    agsvnvtgdevkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdp
    ldgssnidclasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgq
    gvdlfmldpalgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsap
    ygaryvgsmvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgt
    qpvldvkpeaihqrvplilgspedvqeyltcvqknqags
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0cA (A:)
    tdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygiagsvnvtg
    devkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdpldgssnid
    clasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgqgvdlfmld
    palgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsapygaryvgs
    mvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgtqpvldvkp
    eaihqrvplilgspedvqeyltcvqknq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5q0cB (B:)
    mtdrspfetdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygi
    agsvnvtgdevkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdp
    ldgssnidclasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgq
    gvdlfmldpalgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsap
    ygaryvgsmvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgt
    qpvldvkpeaihqrvplilgspedvqeyltcvqknqags
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0cB (B:)
    tdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygiagsvnvtg
    devkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdpldgssnid
    clasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgqgvdlfmld
    palgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsapygaryvgs
    mvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgtqpvldvkp
    eaihqrvplilgspedvqeyltcvqknq
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >5q0cC (C:)
    mtdrspfetdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygi
    agsvnvtgdevkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdp
    ldgssnidclasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgq
    gvdlfmldpalgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsap
    ygaryvgsmvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgt
    qpvldvkpeaihqrvplilgspedvqeyltcvqknqags
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0cC (C:)
    tdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygiagsvnvtg
    devkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdpldgssnid
    clasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgqgvdlfmld
    palgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsapygaryvgs
    mvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgtqpvldvkp
    eaihqrvplilgspedvqeyltcvqknq
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >5q0cD (D:)
    mtdrspfetdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygi
    agsvnvtgdevkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdp
    ldgssnidclasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgq
    gvdlfmldpalgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsap
    ygaryvgsmvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgt
    qpvldvkpeaihqrvplilgspedvqeyltcvqknqags
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0cD (D:)
    tdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygiagsvnvkl
    dvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdpldgssnidclasig
    tifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgqgvdlfmldpalgef
    vlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsapygaryvgsmvadvh
    rtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgtqpvldvkpeaihqr
    vplilgspedvqeyltcvqknq
    

  • Chain 'E':
    Sequence, based on SEQRES records: (download)
    >5q0cE (E:)
    mtdrspfetdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygi
    agsvnvtgdevkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdp
    ldgssnidclasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgq
    gvdlfmldpalgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsap
    ygaryvgsmvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgt
    qpvldvkpeaihqrvplilgspedvqeyltcvqknqags
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0cE (E:)
    tdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygiagsvnvtg
    devkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdpldgssnid
    clasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgqgvdlfmld
    palgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsapygaryvgs
    mvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgtqpvldvkp
    eaihqrvplilgspedvqeyltcvqknq
    

  • Chain 'F':
    Sequence, based on SEQRES records: (download)
    >5q0cF (F:)
    mtdrspfetdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygi
    agsvnvtgdevkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdp
    ldgssnidclasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgq
    gvdlfmldpalgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsap
    ygaryvgsmvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgt
    qpvldvkpeaihqrvplilgspedvqeyltcvqknqags
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0cF (F:)
    tdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygiagsvnvtg
    devkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdpldgssnid
    clasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgqgvdlfmld
    palgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsapygaryvgs
    mvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgtqpvldvkp
    eaihqrvplilgspedvqeyltcvqknq
    

  • Chain 'G':
    Sequence, based on SEQRES records: (download)
    >5q0cG (G:)
    mtdrspfetdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygi
    agsvnvtgdevkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdp
    ldgssnidclasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgq
    gvdlfmldpalgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsap
    ygaryvgsmvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgt
    qpvldvkpeaihqrvplilgspedvqeyltcvqknqags
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0cG (G:)
    tdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygiagsvnvtg
    devkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdpldgssnid
    clasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgqgvdlfmld
    palgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsapygaryvgs
    mvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgtqpvldvkp
    eaihqrvplilgspedvqeyltcvqknq
    

  • Chain 'H':
    Sequence, based on SEQRES records: (download)
    >5q0cH (H:)
    mtdrspfetdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygi
    agsvnvtgdevkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdp
    ldgssnidclasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgq
    gvdlfmldpalgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsap
    ygaryvgsmvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgt
    qpvldvkpeaihqrvplilgspedvqeyltcvqknqags
    

    Sequence, based on observed residues (ATOM records): (download)
    >5q0cH (H:)
    tdmltltryvmekgrqakgtgeltqllnsmltaikaissavrkaglahlygiagsvnvtg
    devkkldvlsnslvinmlqssystcvlvseenkdaiitakekrgkyvvcfdpldgssnid
    clasigtifaiyrktsedepsekdalqcgrnivaagyalygsatlvalstgqgvdlfmld
    palgefvlvekdvkikkkgkiyslnegyakyfdaatteyvqkkkfpedgsapygaryvgs
    mvadvhrtlvyggiflypanqkspkgklrllyecnpvayiieqagglattgtqpvldvkp
    eaihqrvplilgspedvqeyltcvqknq