5ZWH

Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having an ene-ynone group via conjugate addition reaction

Summary for 5ZWH

• Entry DOI: 10.2210/pdb5zwh/pdb
• Descriptor: Vitamin D3 receptor, 13-meric peptide from DRIP205 NR2 BOX peptide, (2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one, ... (5 entities in total)
• Functional Keywords: hormone covalent modifier transcription factor vitamind3 enone michael addition electrophile, hormone
• Biological source: Rattus norvegicus (Rat); More
• Total number of polymer chains: 2
• Total formula weight: 32985.10

Authors

Yoshizawa, M.,Itoh, T.,Anami, Y.,Kato, A.,Yoshimoto, N.,Yamamoto, K. (deposition date: 2018-05-15, release date: 2018-07-18, Last modification date: 2018-08-08)

• Primary citation: Yoshizawa, M.,Itoh, T.,Hori, T.,Kato, A.,Anami, Y.,Yoshimoto, N.,Yamamoto, K.; Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands; J. Med. Chem., 61:6339-6349, 2018; PubMed: 29936834; DOI: 10.1021/acs.jmedchem.8b00774

Experimental method

X-RAY DIFFRACTION (2.38 Å)