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5Q10

Ligand binding to FARNESOID-X-RECEPTOR

Summary for 5Q10
Entry DOI10.2210/pdb5q10/pdb
Group depositionLigand binding to FARNESOID-X-RECEPTOR (G_1002033)
DescriptorBile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N-[3-(acetylamino)phenyl]-4-chloro-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]benzamide, ... (4 entities in total)
Functional Keywordsd3r, fxr, docking, transcription
Biological sourceHomo sapiens (Human)
More
Total number of polymer chains2
Total formula weight29400.28
Authors
Rudolph, M.G.,Benz, J.,Burger, D.,Thoma, R.,Ruf, A.,Joseph, C.,Kuhn, B.,Shao, C.,Yang, H.,Burley, S.K. (deposition date: 2017-05-31, release date: 2017-07-05, Last modification date: 2021-11-17)
Primary citationGaieb, Z.,Liu, S.,Gathiaka, S.,Chiu, M.,Yang, H.,Shao, C.,Feher, V.A.,Walters, W.P.,Kuhn, B.,Rudolph, M.G.,Burley, S.K.,Gilson, M.K.,Amaro, R.E.
D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 32:1-20, 2018
Cited by
PubMed: 29204945
DOI: 10.1007/s10822-017-0088-4
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.2 Å)
Structure validation

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