Het-PDB Navi2 (PDB: 5Q17)

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Ligands
Code	Name		Style	Show	Link
9MV	4-({5-bromo-2-oxo-1'-[(thiophen-2-yl)sulfonyl]spiro[indole-3,4'-piperidin]-1(2h)-yl}methyl)benzoic acid				PoSSuM

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Download interaction data: 5Q17

Code :

5Q17 PDBj RCSB PDB PDBe

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	synonym
2	Nuclear receptor coactivator peptide SRC2	B	SRC2, STEROID RECEPTOR COACTIVATOR-2, NCOA-2

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 ( 2.1000 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

PDB ID: 5Q17