1M13

Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort

Summary for 1M13

Entry DOI	10.2210/pdb1m13/pdb
Related	1ILG 1ILH
Descriptor	Orphan Nuclear Receptor PXR, 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE (3 entities in total)
Functional Keywords	nuclear receptor, ligand binding domain, protein-ligand complex, transcription
Biological source	Homo sapiens (human)
Cellular location	Nucleus: O75469
Total number of polymer chains	1
Total formula weight	36817.65
Authors	Watkins, R.E.,Maglich, J.M.,Moore, L.B.,Wisely, G.B.,Noble, S.M.,Davis-Searles, P.R.,Lambert, M.H.,Kliewer, S.A.,Redinbo, M.R. (deposition date: 2002-06-17, release date: 2003-03-04, Last modification date: 2024-02-14)
Primary citation	Watkins, R.E.,Maglich, J.M.,Moore, L.B.,Wisely, G.B.,Noble, S.M.,Davis-Searles, P.R.,Lambert, M.H.,Kliewer, S.A.,Redinbo, M.R. 2.1 A Crystal Structure of Human PXR in Complex with the St. John's Wort Compound Hyperforin Biochemistry, 42:1430-1438, 2003 Cited by PubMed: 12578355 DOI: 10.1021/bi0268753 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.15 Å)

Structure validation