6w9m

Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with vamorolone and SHP coregulator fragment

Method: X-RAY DIFFRACTION D_max: 60.8 Å Quality: GOOD

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

Glucocorticoid Receptor

synthetic construct

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 2–248	Not recorded	Nuclear receptor subfamily 0 group B member 2 × 1 （Q15466） TUV vamorolone × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 8.5；289.15 K；25% PEG 300 and 0.1 M Tris pH 8.5	Resolution 1.59 Å R-free 0.220

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 6W9M	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
6W9K Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with Prednisolone and PGC1a coregulator fragment Deposited 2020-03-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–248（248 aa）	Not recorded	TUA prednisolone × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；0.2 M ammonium acetate, 3.0 M sodium formate, and 0.1 M HEPES 8.0	Resolution 1.60 Å R-free 0.192
6W9L Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with deacetylated deflazacort and PGC1a coregulator fragment Deposited 2020-03-23	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 2–248（247 aa）	Not recorded	TUS (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；0.2 M ammonium acetate, 2.5 M sodium formate, and 0.1 M Tris pH 8.5	Resolution 1.45 Å R-free 0.200
7YXC Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1 PG4 TETRAETHYLENE GLYCOL × 1 CO3 CARBONATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；85 mM sodium cacodylate trihydrate, pH 6.5, 0.17 M sodium acetate trihydrate, 25.5% (w/v) PEG8000, 15% (v/v) glycerol	Resolution 2.25 Å R-free 0.245
7YXD Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.30 Å R-free 0.221
7YXD Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.30 Å R-free 0.221
7YXD Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.30 Å R-free 0.221
7YXD Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain L 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.30 Å R-free 0.221
7YXN Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1 FMT FORMIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M PIPES, pH 7.0, 0.1 M ammonium acetate, 2.5 M sodium formate	Resolution 2.46 Å R-free 0.247
7YXN Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1 FMT FORMIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M PIPES, pH 7.0, 0.1 M ammonium acetate, 2.5 M sodium formate	Resolution 2.46 Å R-free 0.247
7YXO Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.99 Å R-free 0.280
7YXO Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.99 Å R-free 0.280
7YXO Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.99 Å R-free 0.280
7YXP Crystal structure of WT AncGR2-LBD WT bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 3.36 Å R-free 0.288
7YXR Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M PIPES, pH 7.0, 0.1 M ammonium acetate, 2.5 M sodium formate	Resolution 2.50 Å R-free 0.224
7YXR Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 2–248（247 aa）	Not recorded	DEX DEXAMETHASONE × 1 FMT FORMIC ACID × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M PIPES, pH 7.0, 0.1 M ammonium acetate, 2.5 M sodium formate	Resolution 2.50 Å R-free 0.224

8 other PDB entries and 15 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	A0A1X8XLE9_9ZZZZ
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 4–250； UniProt 2–248

Nuclear receptor subfamily 0 group B member 2

OrganismNot specified

UniProt Q15466

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 17–27	Fragment：eleven-residue fragment	Glucocorticoid Receptor × 1 （A0A1X8XLE9） TUV vamorolone × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 8.5；289.15 K；25% PEG 300 and 0.1 M Tris pH 8.5	Resolution 1.59 Å R-free 0.220

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 6W9M	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1YUC Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP Deposited 2005-02-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 15–28（14 aa） Fragment：NR Box1	Not recorded	EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；9.5%-15% PEG 3350, 5% glycerol, and 50 mM Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 100K	Resolution 1.90 Å R-free 0.248
1YUC Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP Deposited 2005-02-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 15–28（14 aa） Fragment：NR Box1	Not recorded	EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；9.5%-15% PEG 3350, 5% glycerol, and 50 mM Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 100K	Resolution 1.90 Å R-free 0.248
1YUC Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP Deposited 2005-02-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 15–28（14 aa） Fragment：NR Box1 Chain D 15–28（14 aa） Fragment：NR Box1	Not recorded	EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；9.5%-15% PEG 3350, 5% glycerol, and 50 mM Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 100K	Resolution 1.90 Å R-free 0.248
1YUC Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP Deposited 2005-02-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 15–28（14 aa） Fragment：NR Box1 Chain D 15–28（14 aa） Fragment：NR Box1	Not recorded	EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；9.5%-15% PEG 3350, 5% glycerol, and 50 mM Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 100K	Resolution 1.90 Å R-free 0.248
2Q3Y Ancestral Corticiod Receptor in Complex with DOC Deposited 2007-05-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 18–27（10 aa） Fragment：hSHP NR Box1	Not recorded	1CA DESOXYCORTICOSTERONE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；298 K；9.5%-15% PEG 3350, 5% glycerol, and 50 mM Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.40 Å R-free 0.240
2Z4J Crystal structure of AR LBD with SHP peptide NR Box 2 Deposited 2007-06-19	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 115–124（10 aa） Fragment：residues 115-124	Not recorded	DHT 5-ALPHA-DIHYDROTESTOSTERONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；0.1M Bis-Tris Propane, 1.2M Potassium Sodium Tartrate tetrahydrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K	Resolution 2.60 Å R-free 0.234
4DOR Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1 Deposited 2012-02-10	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 C 15–28（14 aa） Fragment：UNP residues 15-28 Chain D 15–28（14 aa） Fragment：UNP residues 15-28	Not recorded	EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；298 K；9.5%-15% PEG 3350, 5% glycerol, and 50 mM Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.90 Å R-free 0.220
4DOR Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1 Deposited 2012-02-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 15–28（14 aa） Fragment：UNP residues 15-28	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；298 K；9.5%-15% PEG 3350, 5% glycerol, and 50 mM Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.90 Å R-free 0.220
4DOR Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1 Deposited 2012-02-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 15–28（14 aa） Fragment：UNP residues 15-28	Not recorded	EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；298 K；9.5%-15% PEG 3350, 5% glycerol, and 50 mM Bis-Tris, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.90 Å R-free 0.220
4ONI Structure of Human Orphan Receptor LRH1 bound to two bacterial phospholipids Deposited 2014-01-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 12–30（19 aa） Fragment：NR Box1, UNP residues 12-30	Not recorded	EPH L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20-30% PEG 3350, Bis Tris, 5% glycerol, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.80 Å R-free 0.202
4ONI Structure of Human Orphan Receptor LRH1 bound to two bacterial phospholipids Deposited 2014-01-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 12–30（19 aa） Fragment：NR Box1, UNP residues 12-30	Not recorded	P6L (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE × 1 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.4；298 K；20-30% PEG 3350, Bis Tris, 5% glycerol, pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.80 Å R-free 0.202
7YXC Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain R 17–27（11 aa）	Not recorded	DEX DEXAMETHASONE × 1 PG4 TETRAETHYLENE GLYCOL × 1 CO3 CARBONATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；85 mM sodium cacodylate trihydrate, pH 6.5, 0.17 M sodium acetate trihydrate, 25.5% (w/v) PEG8000, 15% (v/v) glycerol	Resolution 2.25 Å R-free 0.245
7YXD Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 17–28（12 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.30 Å R-free 0.221
7YXD Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 17–28（12 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.30 Å R-free 0.221
7YXD Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain J 17–28（12 aa）	Not recorded	DEX DEXAMETHASONE × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.30 Å R-free 0.221
7YXD Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain N 17–28（12 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.30 Å R-free 0.221
7YXN Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain R 17–27（11 aa）	Not recorded	DEX DEXAMETHASONE × 1 FMT FORMIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M PIPES, pH 7.0, 0.1 M ammonium acetate, 2.5 M sodium formate	Resolution 2.46 Å R-free 0.247
7YXN Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain S 17–27（11 aa）	Not recorded	DEX DEXAMETHASONE × 1 FMT FORMIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M PIPES, pH 7.0, 0.1 M ammonium acetate, 2.5 M sodium formate	Resolution 2.46 Å R-free 0.247
7YXO Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 17–27（11 aa）	Not recorded	DEX DEXAMETHASONE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.99 Å R-free 0.280
7YXO Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 17–27（11 aa）	Not recorded	DEX DEXAMETHASONE × 1 CPS 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.99 Å R-free 0.280
7YXO Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 17–27（11 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293.15 K；0.1 M Tris-HCl, pH 8.0, 0.2 M sodium chloride, 2.0 M ammonium sulfate	Resolution 2.99 Å R-free 0.280
7YXR Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain R 17–28（12 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M PIPES, pH 7.0, 0.1 M ammonium acetate, 2.5 M sodium formate	Resolution 2.50 Å R-free 0.224
7YXR Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment Deposited 2022-02-16	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain S 17–28（12 aa）	Not recorded	DEX DEXAMETHASONE × 1 FMT FORMIC ACID × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293.15 K；0.1 M PIPES, pH 7.0, 0.1 M ammonium acetate, 2.5 M sodium formate	Resolution 2.50 Å R-free 0.224
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain a 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 CAC CACODYLATE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 10 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain j 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 IMD IMIDAZOLE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 11 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain k 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 CAC CACODYLATE ION × 1 GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 12 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain l 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 IMD IMIDAZOLE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 13 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain m 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 CAC CACODYLATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 IMD IMIDAZOLE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 14 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain n 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 15 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain o 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 CAC CACODYLATE ION × 1 GOL GLYCEROL × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 16 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain p 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain b 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 3 PG4 TETRAETHYLENE GLYCOL × 1 IMD IMIDAZOLE × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain c 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain d 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 CAC CACODYLATE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 CL CHLORIDE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain e 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 CAC CACODYLATE ION × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 1 IMD IMIDAZOLE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain f 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 CL CHLORIDE ION × 1 IMD IMIDAZOLE × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain g 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain h 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 CAC CACODYLATE ION × 1 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244
9HDF Glucocorticoid Receptor Ligand Binding Domain in complex with dexamethasone Deposited 2024-11-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 9 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain i 15–29（15 aa）	Not recorded	DEX DEXAMETHASONE × 1 CAC CACODYLATE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1 IMD IMIDAZOLE × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.085 M sodium cacodylate trihydrate, pH 6.5, 0.17 M ammonium sulfate, 25.5% (w/v) polyethylene glycol 8000 and 15% (v/v) glycerol	Resolution 2.78 Å R-free 0.244

11 other PDB entries and 39 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	NR0B2_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–11； UniProt 17–27

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	6w9m
Deposition date deposition_date	2020-03-23
Structure title title	Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with vamorolone and SHP coregulator fragment
Keywords keywords	Glucocorticoid Receptor, anti-inflammation drug, HORMONE; HORMONE
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	19.59 Å
Radius of gyration Rg (electron density) rg_electron	18.27 Å
Forward intensity I(0) i0	14965200.00
Molecular weight molecular_weight	30665.0 kDa
Excluded volume excluded_volume	39041 Å³
Envelope volume envelope_volume	44026 Å³
Hydration-shell volume shell_volume	19862 Å³
Envelope diameter envelope_diameter	62.6 Å
Shell Rg shell_rg	24.85 Å
Envelope Rg envelope_rg	18.64 Å
Shape Rg shape_rg	18.28 Å
Total Rg total_rg	19.20 Å
Total atoms total_atoms	2152
Residues n_residues	262
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	60.8 Å
Rg (real space) rg_real	19.46 Å
Rg uncertainty (real space) rg_real_error	0.37 Å
I(0) (real space) i0_real	1.4970e+07
I(0) uncertainty (real space) i0_real_error	1.9140e+05
Rg (reciprocal space) rg_reciprocal	19.48 Å
I(0) (reciprocal space) i0_reciprocal	14970000.0000
Solution quality estimate total_estimate	0.8220
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	24.8 Å
Skewness Skewness skewness	0.170
Kurtosis Kurtosis kurtosis	-0.409
Angular range angular_range	— – 0.4050 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	3603000.0000
Real-space data points n_real_points	72
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.898; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Glucocorticoid Receptor
Molecular weight formula_weight	28964.7 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	2283

GEFPTLISLLEVIEPEVLYSGYDSTLPDTSTRLMSTLNRLGGRQVVSAVKWAKALPGFRNLHLDDQMTLLQYSWMSLMAFSLGWRSYKQSNGNMLCFAPDLVINEERMQLPYMYDQCQQMLKISSEFVRLQVSYDEYLCMKVLLLLSTVPKDGLKSQAVFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEMVGGLLQFCFYTFVNKSLSVEFPEMLAEIISNQLPKFKAGSVKPLLFHQK

来源 Source

来源生物 organism	synthetic construct
NCBI Class编号 ncbi_taxonomy_id	32630
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Nuclear receptor subfamily 0 group B member 2
Molecular weight formula_weight	1204.4 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

RPAILYALLSS

Entity 3 Entity 3 non-polymer

Description description	vamorolone
Molecular weight formula_weight	356.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	60

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8. Citations (1)

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Unit-cell length a length_a	87.065 Å
Unit-cell length b length_b	52.854 Å
Unit-cell length c length_c	69.646 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	116.39 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

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

Resolution resolution	1.590 Å
Low-resolution limit resolution_low	38.990 Å
R factor r_factor	0.1887
R_work r_work	0.1871
R_free r_free	0.2197

fit	/app/data/saxs_computation/w9/6w9m/6w9m.fit
pddf	/app/data/pr_computation/w9/6w9m/6w9m.pr.out
profile	/app/data/saxs_computation/w9/6w9m/6w9m.dat

Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with vamorolone and SHP coregulator fragment

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

Glucocorticoid Receptor

State in the Current Structure

Other States of the Same Protein in the Database

Nuclear receptor subfamily 0 group B member 2

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)