Brand  (β version)

PDB ID: 5ZWF

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
9KR (E,7r)-7-[(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-2-en-4-one PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 5ZWF   PDBj   RCSB PDB   PDBe
Header : HORMONE
Title : Covalent bond formation between histidine of Vitamin D receptor (VDR) and a full agonist having a enone with a beta methyl group via conjugate addition reaction
Release Data : 2018-07-18
Compound :
mol_id molecule chains synonym
1 Vitamin D3 receptor A VDR,1,25-dihydroxyvitamin D3 receptor,Nuclear receptor subfamily 1 group I member 1
mutation: 165-211 deletion
mol_id molecule chains
2 13-meric peptide from DRIP205 NR2 BOX peptide C
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Rat Escherichia coli  (taxid:562)
gene: Vdr, Nr1i1
mol_id organism_scientific expression_system
2 Homo sapiens  (taxid:9606) Synthetic construct  (taxid:32630)
Authors : Yoshizawa, M., Itoh, T., Anami, Y., Kato, A., Yoshimoto, N., Yamamoto, K.
Keywords : HORMONE covalent modifier transcription factor VitaminD3 enone Michael addition electrophile, HORMONE
Exp. method : X-RAY DIFFRACTION ( 2.10 Å )
Citation :

Identification of the Histidine Residue in Vitamin D Receptor That Covalently Binds to Electrophilic Ligands

Yoshizawa, M.,Itoh, T.,Hori, T.  et al.
(2018)  J. Med. Chem.  61 : 6339 - 6349

PubMed: 29936834
DOI: 10.1021/acs.jmedchem.8b00774

Reaction

Chain : A
UniProt : P13053 (VDR_RAT)
Reaction : -