2ewp

Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domaind with tamoxifen analog GSK5182

Method: X-RAY DIFFRACTION D_max: 125.7 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Estrogen-related receptor gamma

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 233–458 Chain B； UniProt 233–458	Not recorded	TXF (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；0.2M sodium Citrate, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP	Resolution 2.30 Å R-free 0.247
2	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 233–458 Chain D； UniProt 233–458	Not recorded	TXF (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；0.2M sodium Citrate, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP	Resolution 2.30 Å R-free 0.247
3	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain E； UniProt 233–458	Not recorded	TXF (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；0.2M sodium Citrate, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP	Resolution 2.30 Å R-free 0.247

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 2EWP	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1KV6 X-ray structure of the orphan nuclear receptor ERR3 ligand-binding domain in the constitutively active conformation Deposited 2002-01-25	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 229–458（230 aa） Fragment：ligand-binding domain Chain B 229–458（230 aa） Fragment：ligand-binding domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；Tris.HCl, ammonium sulfate, glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 277K	Resolution 2.70 Å R-free 0.267
1TFC CRYSTAL STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE ESTROGEN-RELATED RECEPTOR GAMMA IN COMPLEX WITH A STEROID RECEPTOR COACTIVATOR-1 PEPTIDE Deposited 2004-05-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 229–458（230 aa） Fragment：LIGAND-BINDING DOMAIN Chain B 229–458（230 aa） Fragment：LIGAND-BINDING DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；TRIS.HCL, AMMONIUM SULFATE, GLYCEROL, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.40 Å R-free 0.258
2E2R Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol A Deposited 2006-11-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa） Fragment：ligand binding domain, residues 232-459	Not recorded	2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 2 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.05M HEPES, 0.75M sodium citrate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.60 Å R-free 0.197
2GP7 Estrogen Related Receptor-gamma ligand binding domain Deposited 2006-04-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 229–458（230 aa） Fragment：Residues 229-458 Chain B 229–458（230 aa） Fragment：Residues 229-458	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1m Tris pH8.0 15mM CaCl2 30% PEG600 2% PEG35K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.45 Å R-free 0.263
2GP7 Estrogen Related Receptor-gamma ligand binding domain Deposited 2006-04-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 229–458（230 aa） Fragment：Residues 229-458 Chain D 229–458（230 aa） Fragment：Residues 229-458	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；0.1m Tris pH8.0 15mM CaCl2 30% PEG600 2% PEG35K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.45 Å R-free 0.263
2GPO Estrogen Related Receptor-gamma ligand binding domain complexed with a synthetic peptide from RIP140 Deposited 2006-04-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 229–458（230 aa） Fragment：Ligand Binding Domain (Residues 229-458)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；295 K；14% PEG 3350 0.2M sodium formate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 1.95 Å R-free 0.231
2GPP Estrogen Related Receptor-gamma ligand binding domain complexed with a RIP140 peptide and synthetic ligand GSK4716 Deposited 2006-04-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 229–458（230 aa） Fragment：Residues (229-458) Chain B 229–458（230 aa） Fragment：Residues (229-458)	Not recorded	1BA 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；9% PEG 20K 0.1M MES buffer, pH 7.5, vapor diffusion, hanging drop, temperature 295K	Resolution 2.60 Å R-free 0.257
2GPU Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen Deposited 2006-04-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 229–458（230 aa） Fragment：Ligand Binding Domain (Residues 229-458)	Not recorded	OHT 4-HYDROXYTAMOXIFEN × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；283 K；36% Peg600, 0.1M tris, 0.1% zwittergent 3-16, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 283K	Resolution 1.70 Å R-free 0.195
2GPV Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide Deposited 2006-04-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 229–458（230 aa） Fragment：Ligand Binding Domain (residues 229-458) Chain B 229–458（230 aa） Fragment：Ligand Binding Domain (residues 229-458) Chain D 229–458（230 aa） Fragment：Ligand Binding Domain (residues 229-458) Chain E 229–458（230 aa） Fragment：Ligand Binding Domain (residues 229-458)	Not recorded	OHT 4-HYDROXYTAMOXIFEN × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；7% PEG3350 0.2M Lithium Acetate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.85 Å R-free 0.279
2GPV Estrogen Related Receptor-gamma ligand binding domain complexed with 4-hydroxy-tamoxifen and a SMRT peptide Deposited 2006-04-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain C 229–458（230 aa） Fragment：Ligand Binding Domain (residues 229-458) Chain F 229–458（230 aa） Fragment：Ligand Binding Domain (residues 229-458)	Not recorded	OHT 4-HYDROXYTAMOXIFEN × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；293 K；7% PEG3350 0.2M Lithium Acetate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.85 Å R-free 0.279
2P7A Crystal Structure of Estrogen Related Receptor g in complex with 3-methyl phenol Deposited 2007-03-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 229–458（230 aa）	Not recorded	43M 4-CHLORO-3-METHYLPHENOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；22.6% polyethylene glycol 4000, 0.1M Tris pH 8.5 and 0.2M Sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.30 Å R-free 0.256
2P7G X-ray Structure of Estrogen Related Receptor g in complex with Bisphenol A. Deposited 2007-03-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 229–458（230 aa）	Not recorded	NA SODIUM ION × 1 2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；22.6% polyethylene glycol 4000, 0.1M Tris, pH 8.5 and 0.2M Sodium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.10 Å R-free 0.260
2P7Z Estrogen Related Receptor Gamma in complex with 4-hydroxy-tamoxifen Deposited 2007-03-21	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 229–458（230 aa）	Not recorded	OHT 4-HYDROXYTAMOXIFEN × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；22.6% polyethylene glycol 4000, 0.1M Tris pH 8.5 and 0.2M sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.50 Å R-free 0.263
2ZAS Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with 4-alpha-cumylphenol, a bisphenol A derivative Deposited 2007-10-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa） Fragment：ligand binding domain, UNP residues 222-459	Not recorded	1OH 4-(1-methyl-1-phenylethyl)phenol × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.05M HEPES, 0.75M sodium citrate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.00 Å R-free 0.237
2ZBS Crystal structure of human estrogen-related receptor gamma ligand binding domain apo form Deposited 2007-10-27	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa） Fragment：ligand binding domain, residues 222-459	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.4 K；VAPOR DIFFUSION, HANGING DROP, temperature 293.4K	Resolution 1.80 Å R-free 0.244
2ZKC Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with bisphenol Z Deposited 2008-03-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa） Fragment：ligand binding domain, UNP residues 222-459	Not recorded	BPZ 4,4'-cyclohexane-1,1-diyldiphenol × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.05M HEPES, 0.75M sodium citrate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.70 Å R-free 0.234
5YSO Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domain with DN200434 Deposited 2017-11-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 222–458（237 aa）	Not recorded	90C 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Ammonium fluoride, 20%(w/v) PEG 3350, 10mM Barium chloride dihydrate	Resolution 2.50 Å R-free 0.243
5YSO Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domain with DN200434 Deposited 2017-11-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 222–458（237 aa）	Not recorded	90C 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Ammonium fluoride, 20%(w/v) PEG 3350, 10mM Barium chloride dihydrate	Resolution 2.50 Å R-free 0.243
5YSO Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domain with DN200434 Deposited 2017-11-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 222–458（237 aa）	Not recorded	90C 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.2M Ammonium fluoride, 20%(w/v) PEG 3350, 10mM Barium chloride dihydrate	Resolution 2.50 Å R-free 0.243
6A6K Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 Deposited 2018-06-28	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 222–458（237 aa） Fragment：UNP residues 222-458	Not recorded	9S6 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1M BIS-TRIS pH6.5, 16 %(w/v) PEG 10K, 3% MetOH	Resolution 2.90 Å R-free 0.263
6A6K Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 Deposited 2018-06-28	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 222–458（237 aa） Fragment：UNP residues 222-458	Not recorded	9S6 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1M BIS-TRIS pH6.5, 16 %(w/v) PEG 10K, 3% MetOH	Resolution 2.90 Å R-free 0.263
6A6K Crystal structure of Estrogen-related Receptor-3 (ERR-gamma) ligand binding domain with DN201000 Deposited 2018-06-28	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 222–458（237 aa） Fragment：UNP residues 222-458	Not recorded	9S6 3-[(~{E})-5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1M BIS-TRIS pH6.5, 16 %(w/v) PEG 10K, 3% MetOH	Resolution 2.90 Å R-free 0.263
6I61 Crystal structure of human ERRg LBD in complex with bisphenol-B Deposited 2018-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa）	Not recorded	H3W bisphenol-B × 2 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0-100 mM Sodium Acetate 100 mM Tris 23-26% PEG 8000	Resolution 1.65 Å R-free 0.219
6I62 Crystal structure of human ERRg LBD in complex with HPTE Deposited 2018-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa）	Not recorded	27N 4,4'-(2,2,2-trichloroethane-1,1-diyl)diphenol × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0-100 mM Sodium Acetate 100 mM Tris 23-26% PEG 8000	Resolution 1.65 Å R-free 0.200
6I63 Crystal structure of human ERRg LBD in complex with bisphenol-A Deposited 2018-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa）	Not recorded	2OH 4,4'-PROPANE-2,2-DIYLDIPHENOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0-100 mM Sodium Acetate 100 mM Tris 23-26% PEG8000	Resolution 2.23 Å R-free 0.206
6I64 Crystal structure of human ERRg LBD in complex with bisphenol-E Deposited 2018-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa）	Not recorded	H48 4-[1-(4-hydroxyphenyl)ethyl]phenol × 2 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0-100 mM Sodium Acetate 100 mM Tris 23-26% PEG8000	Resolution 1.91 Å R-free 0.237
6I65 Crystal structure of human ERRg LBD in complex with 4-iso-propylphenol Deposited 2018-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa）	Not recorded	H3Z 4-propan-2-ylphenol × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0-100 mM Sodium acetat 100 mM Tris 23-26% PEG8000	Resolution 1.50 Å R-free 0.198
6I66 Crystal structure of human ERRg LBD in complex with 4-sec-butylphenol Deposited 2018-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa）	Not recorded	H4Q 4-[(2~{R})-butan-2-yl]phenol × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0-100 mM Sodium acetate 100 mM Tris 23-26% PEG8000	Resolution 1.60 Å R-free 0.207
6I67 Crystal structure of human ERRg LBD in complex with tetrahydro-2-naphtol Deposited 2018-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 222–458（237 aa）	Not recorded	H42 5,6,7,8-tetrahydronaphthalen-2-ol × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；293 K；0-100 mM Sodium acetate 100 mM Tris 23-26% PEG8000	Resolution 1.75 Å R-free 0.208
6K3N Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with BPA-monoF Deposited 2019-05-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 232–458（227 aa）	Not recorded	CW6 2-fluoranyl-4-[2-(4-hydroxyphenyl)propan-2-yl]phenol × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.05M HEPES, 0.75M sodium citrate, 5% glycerol, pH 7.5,	Resolution 1.97 Å R-free 0.253
6KNR Crystal structure of Estrogen-related receptor gamma ligand-binding domain with DN200699 Deposited 2019-08-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 222–458（237 aa） Fragment：ligand-binding domain	Not recorded	DL9 (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.28M K Na Tartrate	Resolution 2.80 Å R-free 0.226
6KNR Crystal structure of Estrogen-related receptor gamma ligand-binding domain with DN200699 Deposited 2019-08-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 222–458（237 aa） Fragment：ligand-binding domain	Not recorded	DL9 (E)-4-(1-(4-(1-cyclopropylpiperidin-4-yl)phenyl)-5-hydroxy-2-phenylpent-1-en-1-yl)phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.28M K Na Tartrate	Resolution 2.80 Å R-free 0.226
8B4Q Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 5 Deposited 2022-09-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 174–182（9 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 OYI 3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol	Resolution 1.40 Å R-free 0.175
8BJG Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 8 Deposited 2022-11-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 174–182（9 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	MG MAGNESIUM ION × 8 CL CHLORIDE ION × 2 QL0 3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol	Resolution 1.40 Å R-free 0.175
8BJN Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 6 Deposited 2022-11-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 174–182（9 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 QL9 3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol	Resolution 1.40 Å R-free 0.175
8BM5 Ternary structure of 14-3-3s, ERRg phosphopeptide and dual-reactive compound 7 Deposited 2022-11-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 174–182（9 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	MG MAGNESIUM ION × 6 CL CHLORIDE ION × 2 QQ0 4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol	Resolution 1.40 Å R-free 0.186
8IFO Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter Deposited 2023-02-19	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: tetrameric	Chain A 123–219（97 aa） Chain B 123–219（97 aa）	Not recorded	ZN ZINC ION × 5 MLI MALONATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M Sodium malonate pH 6.0, 12% w/v Polyethylene glycol 3,350	Resolution 2.20 Å R-free 0.260
8IFO Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter Deposited 2023-02-19	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein–DNA Monomer；Protein × 1 PDB declaration: trimeric	Chain F 123–219（97 aa）	Not recorded	ZN ZINC ION × 2 MLI MALONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1 M Sodium malonate pH 6.0, 12% w/v Polyethylene glycol 3,350	Resolution 2.20 Å R-free 0.260
9KNC Crystal structure of human ERRg LBD in complex with 6-nitroindole Deposited 2024-11-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 229–458（230 aa）	Not recorded	A1EF8 6-nitro-1~{H}-indole × 2 PGR R-1,2-PROPANEDIOL × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30%(w/v) PEG 5000 MME 0.1M Tris 8.0 0.2M lithium sulfate	Resolution 1.90 Å R-free 0.232
9KND Crystal structure of human ERRg LBD in complex with indole Deposited 2024-11-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 229–458（230 aa）	Not recorded	IND INDOLE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30%(w/v) PEG 5000 MME 0.1M Tris 8.0 0.2M lithium sulfate	Resolution 1.52 Å R-free 0.212
9KNE Crystal structure of human ERRg LBD in complex with 5-nitroindole Deposited 2024-11-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 229–458（230 aa）	Not recorded	2HU 5-nitro-1H-indole × 2 PGR R-1,2-PROPANEDIOL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30%(w/v) PEG 5000 MME 0.1M Tris 8.0 0.2M lithium sulfate	Resolution 1.80 Å R-free 0.224
9KNF Crystal structure of human ERRg LBD in complex with 4028691 Deposited 2024-11-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 229–458（230 aa）	Not recorded	A1EGB 5-chloranyl-2~{H}-indazole × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.0 M K/Na tartrate, 0.1 M Tris pH 7.0, 0.2 M Li2SO4	Resolution 1.62 Å R-free 0.228
9KNG Crystal structure of human ERRg LBD in complex with 4034496 Deposited 2024-11-18	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 229–458（230 aa）	Not recorded	A1EGD 6-methyl-1,3-benzothiazole-2,4-diamine × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；30%(w/v) PEG 5000 MME, 0.1M Tris 8.0, 0.2M lithium sulfate	Resolution 1.50 Å R-free 0.234

35 other PDB entries and 43 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ERR3_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–226； UniProt 233–458 Author chain B； PDBConstruct 1–226； UniProt 233–458 Author chain C； PDBConstruct 1–226； UniProt 233–458 Author chain D； PDBConstruct 1–226； UniProt 233–458 Author chain E； PDBConstruct 1–226； UniProt 233–458

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	2ewp
Deposition date deposition_date	2005-11-04
Structure title title	Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domaind with tamoxifen analog GSK5182
Keywords keywords	Tamoxifen, ERR, Estrogen Related Receptor, Orphan Receptor, TRANSCRIPTION; TRANSCRIPTION
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	40.22 Å
Radius of gyration Rg (electron density) rg_electron	39.72 Å
Forward intensity I(0) i0	219204000.00
Molecular weight molecular_weight	126790.0 kDa
Excluded volume excluded_volume	161370 Å³
Envelope volume envelope_volume	218970 Å³
Hydration-shell volume shell_volume	46675 Å³
Envelope diameter envelope_diameter	126.8 Å
Shell Rg shell_rg	44.62 Å
Envelope Rg envelope_rg	38.80 Å
Shape Rg shape_rg	39.73 Å
Total Rg total_rg	40.00 Å
Total atoms total_atoms	8905
Residues n_residues	1106
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	125.7 Å
Rg (real space) rg_real	40.17 Å
Rg uncertainty (real space) rg_real_error	1.22 Å
I(0) (real space) i0_real	2.1920e+08
I(0) uncertainty (real space) i0_real_error	3.8920e+06
Rg (reciprocal space) rg_reciprocal	40.22 Å
I(0) (reciprocal space) i0_reciprocal	219200000.0000
Solution quality estimate total_estimate	0.8807
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	35.5 Å
Skewness Skewness skewness	0.110
Kurtosis Kurtosis kurtosis	-0.886
Angular range angular_range	— – 0.1950 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	46390000.0000
Real-space data points n_real_points	40
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.889; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.948; Smooth: 0.831

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Estrogen-related receptor gamma
Molecular weight formula_weight	25657.8 kDa
Source method src_method	man
Copy count entity_count	5

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E
Atom count atom_count	9573

PYNKIVSHLLVAEPEKIYAMPDPTVPDSDIKALTTLCDLADRELVVIIGWAKHIPGFSTLSLADQMSLLQSAWMEILILGVVYRSLSFEDELVYADDYIMDEDQSKLAGLLDLNNAILQLVKKYKSMKLEKEEFVTLKAIALANSDSMHIEDVEAVQKLQDVLHEALQDYEAGQHMEDPRRAGKMLMTLPLLRQTSTKAVQHFYNIKLEGKVPMHKLFLEMLEAKV

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
Molecular weight formula_weight	417.5 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	412

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7. Fold Classification (SCOP + CATH) 10 domains

SCOP 2.08 (5 domains)

Domain ID domain_id	d2ewpa_
Class class	a — All alpha proteins
Fold Fold fold	a.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamily	a.123.1 — Nuclear receptor ligand-binding domain
Family Family family	a.123.1.1 — Nuclear receptor ligand-binding domain

Domain ID domain_id	d2ewpb_
Class class	a — All alpha proteins
Fold Fold fold	a.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamily	a.123.1 — Nuclear receptor ligand-binding domain
Family Family family	a.123.1.1 — Nuclear receptor ligand-binding domain

Domain ID domain_id	d2ewpc_
Class class	a — All alpha proteins
Fold Fold fold	a.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamily	a.123.1 — Nuclear receptor ligand-binding domain
Family Family family	a.123.1.1 — Nuclear receptor ligand-binding domain

Domain ID domain_id	d2ewpd_
Class class	a — All alpha proteins
Fold Fold fold	a.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamily	a.123.1 — Nuclear receptor ligand-binding domain
Family Family family	a.123.1.1 — Nuclear receptor ligand-binding domain

Domain ID domain_id	d2ewpe_
Class class	a — All alpha proteins
Fold Fold fold	a.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamily	a.123.1 — Nuclear receptor ligand-binding domain
Family Family family	a.123.1.1 — Nuclear receptor ligand-binding domain

CATH v4.4 (5 domains)

Domain ID domain_id	2ewpA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	565 — Retinoid X Receptor
Homologous superfamily homologous superfamily	10 — Retinoid X Receptor

Domain ID domain_id	2ewpB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	565 — Retinoid X Receptor
Homologous superfamily homologous superfamily	10 — Retinoid X Receptor

Domain ID domain_id	2ewpC00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	565 — Retinoid X Receptor
Homologous superfamily homologous superfamily	10 — Retinoid X Receptor

Domain ID domain_id	2ewpD00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	565 — Retinoid X Receptor
Homologous superfamily homologous superfamily	10 — Retinoid X Receptor

Domain ID domain_id	2ewpE00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	565 — Retinoid X Receptor
Homologous superfamily homologous superfamily	10 — Retinoid X Receptor

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8. Citations (1)

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Unit-cell length a length_a	106.876 Å
Unit-cell length b length_b	75.776 Å
Unit-cell length c length_c	185.092 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	104.84 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	20

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	19.940 Å
R factor r_factor	0.1884
R_work r_work	0.1866
R_free r_free	0.2469

fit	/app/data/saxs_computation/ew/2ewp/2ewp.fit
pddf	/app/data/pr_computation/ew/2ewp/2ewp.pr.out
profile	/app/data/saxs_computation/ew/2ewp/2ewp.dat