Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol
Modified Residues
Code Name Link
CSO S-hydroxycysteine
Code : 3UUA
Header : HORMONE RECEPTOR
Title : Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF
Release Data : 2012-08-22
Compound :
mol_id molecule chains synonym
1 Estrogen receptor A ER, ER-alpha, Estradiol receptor, Nuclear receptor subfamily 3 group A member 1
fragment: Ligand binding domain (residues 302-552)
mutation: Y537S
mol_id molecule chains synonym
2 Estrogen receptor B ER, ER-alpha, Estradiol receptor, Nuclear receptor subfamily 3 group A member 1
fragment: Ligand binding domain (residues 302-552)
mutation: Y537S
mol_id molecule chains synonym
3 Nuclear receptor coactivator 1 F,G NCoA-1, Class E basic helix-loop-helix protein 74, bHLHe74, Protein Hin-2, RIP160, Renal carcinoma antigen NY-REN-52, Steroid receptor coactivator 1, SRC-1
ec: 2.3.1.48
fragment: Coactivator peptide SRC-1
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: ESR1, ESR, NR3A1
expression_system_strain: BL21(DE3)
expression_system_vector_type: Plasmid
expression_system_plasmid: pET32a
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: ESR1, ESR, NR3A1
expression_system_strain: BL21(DE3)
expression_system_vector_type: Plasmid
expression_system_plasmid: pET32a
mol_id organism_scientific organism_common
3 Homo sapiens  (taxid:9606) Human
synthetic: yes
other_details: synthetic peptide
Authors : Delfosse, V., Grimaldi, M., Bourguet, W.
Keywords : Ligand-binding domain of nuclear hormone receptor, HORMONE RECEPTOR
Exp. method : X-RAY DIFFRACTION ( 2.050 Å )
Citation :

Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes.

Delfosse, V.,Grimaldi, M.,Pons, J.L.  et al.
(2012)  Proc.Natl.Acad.Sci.USA  109 : 14930 - 14935

PubMed: 22927406
DOI: 10.1073/pnas.1203574109

Chain : B
UniProt : P03372 (ESR1_HUMAN)
Reaction : -
Chain : F, G
UniProt : Q15788 (NCOA1_HUMAN)
Reaction : Acetyl-CoA + [histone] = CoA + acetyl- [histone].