2026-06-06_00000233
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ligand
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9VBR
Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide;
X-ray diffraction 2.50Å
Protein #1
260 residues (95% resolved)
Raw Sequence ...
MGHHHHHHGSTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVGSGSGSGSGDHQLLRYLLDKD
Canonical Sequence ...
MGHHHHHHGSTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVGSGSGSGSGDHQLLRYLLDKD
Non polymer #2
A1ERI
InChI=1S/C28H28N4O3/c1-16-9-12-25-23(13-16)24(30-20-7-5-4-6-8-20)14-17(2)31(25)26(33)18(3)32-27(34)21-11-10-19(29)15-22(21)28(32)35/h4-13,15,17-18,24,30H,14,29H2,1-3H3/t17-,18-,24+/m0/s1
InChI=1S/C28H28N4O3/c1-16-9-12-25-23(13-16)24(30-20-7-5-4-6-8-20)14-17(2)31(25)26(33)18(3)32-27(34)21-11-10-19(29)15-22(21)28(32)35/h4-13,15,17-18,24,30H,14,29H2,1-3H3/t17-,18-,24+/m0/s1
SMILES: Cc1ccc2c(c1)[C@@H](C[C@@H](N2C(=O)[C@H](C)N3C(=O)c4ccc(cc4C3=O)N)C)Nc5ccccc5
Cc1ccc2c(c1)[C@@H](C[C@@H](N2C(=O)[C@H](C)N3C(=O)c4ccc(cc4C3=O)N)C)Nc5ccccc5
Non polymer #3
FMT
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
SMILES: C(=O)O
C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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