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 2.05 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 2.05: d3ooka_ - 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 2.05: d3ookc_ - 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.