PDB entry 3ook

View 3ook on RCSB PDB site
Description: Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
Class: hormone receptor
Keywords: nuclear receptor, cholesterol, bile acid, DNA-binding, nucleus, receptor, transcription, ligand binding domain transcription regulation, coactivator, fxr alternative splicing, hormone receptor
Deposited on 2010-08-31, released 2011-01-19
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-02-26, with a file datestamp of 2014-02-21.
Experiment type: XRAY
Resolution: 2.29 Å
R-factor: 0.231
AEROSPACI score: 0.26 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Bile acid receptor
    Species: Homo sapiens [TaxId:9606]
    Gene: NR1H4, hCG_20893
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q96RI1 (4-232)
      • expression tag (3)
      • engineered mutation (37)
      • engineered mutation (110)
    Domains in SCOPe 2.06: d3ooka1, d3ooka2
  • Chain 'B':
    Compound: Peptide of Nuclear receptor coactivator 1
    Species: synthetic, synthetic
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: Bile acid receptor
    Species: Homo sapiens [TaxId:9606]
    Gene: NR1H4, hCG_20893
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q96RI1 (4-232)
      • expression tag (3)
      • engineered mutation (37)
      • engineered mutation (110)
    Domains in SCOPe 2.06: d3ookc1, d3ookc2
  • Chain 'D':
    Compound: Peptide of Nuclear receptor coactivator 1
    Species: synthetic, synthetic
    Database cross-references and differences (RAF-indexed):
  • Heterogens: OOK, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ookA (A:)
    gshmeltpdqqtllhfimdsynkqrmpqeitnkilkeafsaeenfliltematnhvqvlv
    eftkklpgfqtldhedqiallkgsaveamflrsaeifnkklpsghsdllearirnsgisd
    eyitpmfsfyksigelkmtqeeyalltaivilspdrqyikdreaveklqeplldvlqklc
    kihqpenpqhfacllgrltelrtfnhhhaemlmswrvndhkftpllceiwdvq
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ookA (A:)
    meltpdqqtllhfimdsynkqrmpqeitnkilkeafsaeenfliltematnhvqvlveft
    kklpgfqtldhedqiallkgsaveamflrsaeifnkklpsghsdllearirnsgisdeyi
    tpmfsfyksigelkmtqeeyalltaivilspdrqyikdreaveklqeplldvlqklckih
    qpenpqhfacllgrltelrtfnhhhaemlmswrvndhkftpllceiwdvq
    

  • Chain 'B':
    No sequence available.

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3ookC (C:)
    gshmeltpdqqtllhfimdsynkqrmpqeitnkilkeafsaeenfliltematnhvqvlv
    eftkklpgfqtldhedqiallkgsaveamflrsaeifnkklpsghsdllearirnsgisd
    eyitpmfsfyksigelkmtqeeyalltaivilspdrqyikdreaveklqeplldvlqklc
    kihqpenpqhfacllgrltelrtfnhhhaemlmswrvndhkftpllceiwdvq
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ookC (C:)
    meltpdqqtllhfimdsynkqrmpqeitnkilkeafsaeenfliltematnhvqvlveft
    kklpgfqtldhedqiallkgsaveamflrsaeifnkklpsghsdllearirnsgisdeyi
    tpmfsfyksigelkmtqeeyalltaivilspdrqyikdreaveklqeplldvlqklckih
    qpenpqhfacllgrltelrtfnhhhaemlmswrvndhkftpllceiwdvq
    

  • Chain 'D':
    No sequence available.