Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
9L1 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid
Code : 5Q0M
Header : TRANSCRIPTION
Title : Ligand binding to FARNESOID-X-RECEPTOR
Release Data : 2017-07-05
Compound :
mol_id molecule chains synonym
1 Bile acid receptor A Farnesoid X-activated receptor,Farnesol receptor HRR-1,Nuclear receptor subfamily 1 group H member 4,Retinoid X receptor-interacting protein 14,RXR-interacting protein 14
mol_id molecule chains
2 COACTIVATOR PEPTIDE SRC-1 HD3 B
fragment: UNP residues 744-757
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: NR1H4, BAR, FXR, HRR1, RIP14
expression_system_vector_type: PLASMID
expression_system_plasmid: PET28A
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) Human
synthetic: yes
Authors : Rudolph, M.G., Benz, J., Burger, D., Thoma, R., Ruf, A., Joseph, C., Kuhn, B., Shao, C., Yang, H., Burley, S.K.
Keywords : D3R, FXR, Docking, TRANSCRIPTION
Exp. method : X-RAY DIFFRACTION ( 2.2000 Å )
Citation :

D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.

Gaieb, Z.,Liu, S.,Gathiaka, S.  et al.
(2018)  J. Comput. Aided Mol. Des.  32 : 1 - 20

PubMed: 29204945
DOI: 10.1007/s10822-017-0088-4

Chain : A
UniProt : Q96RI1 (NR1H4_HUMAN)
Reaction : -
Chain : B
UniProt : A8K1V4 (No found in current UniProtKB/SwissProt)
Reaction : -