Brand  (β version)

PDB ID: 3UUA

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Ligands
Code Name Style Show Link
0CZ 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol PoSSuM
Non-standard Residues
Code Name Show
CSO S-hydroxycysteine
Glycosylation
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Modification
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Structure summary

Code : 3UUA   PDBj   RCSB PDB   PDBe
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

Reaction

Chain : B
UniProt : P03372 (ESR1_HUMAN)
Reaction : -
Chain : F, G
UniProt : Q15788 (NCOA1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-lysyl-[protein] + acetyl-CoA = N(6)-acetyl-L-lysyl-[protein] + CoA + H(+) 2.3.1.48 -
-