SAXSdb — 3kmz

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

Retinoic acid receptor alpha

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 heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 176–421 Chain B； UniProt 176–421	Fragment：ligand binding domain	Nuclear receptor corepressor 1 × 2 （O75376） EQO 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid × 2 GOL GLYCEROL × 9	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；18% PEG 3350 (w/v), 0.15M NH4Cl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.230
2	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain B； UniProt 176–421	Fragment：ligand binding domain	Nuclear receptor corepressor 1 × 2 （O75376） EQO 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid × 2 GOL GLYCEROL × 8	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；18% PEG 3350 (w/v), 0.15M NH4Cl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.230
3	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 176–421	Fragment：ligand binding domain	Nuclear receptor corepressor 1 × 2 （O75376） EQO 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid × 2 GOL GLYCEROL × 10	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；18% PEG 3350 (w/v), 0.15M NH4Cl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.230

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 3KMZ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1DKF CRYSTAL STRUCTURE OF A HETERODIMERIC COMPLEX OF RAR AND RXR LIGAND-BINDING DOMAINS Deposited 1999-12-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 182–416（235 aa） Fragment：LIGAND-BINDING DOMAIN	Not recorded	OLA OLEIC ACID × 1 BMS 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.25；PEG 10000, pH 7.25	Resolution 2.50 Å R-free 0.262
1DSZ STRUCTURE OF THE RXR/RAR DNA-BINDING DOMAIN HETERODIMER IN COMPLEX WITH THE RETINOIC ACID RESPONSE ELEMENT DR1 Deposited 2000-01-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 82–167（86 aa） Fragment：RESIDUES 82-167	Not recorded	ZN ZINC ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；281 K；18-23% PEG 3350, 25 mM Tris buffer, 5 mM MgCl2, 0.4 M NH4CL, RXR and RAR proteins each at 0.45 mM, DNA duplex at 0.45 mM, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 281K	Resolution 1.70 Å R-free 0.267
3A9E Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha heterodimer ligand binding domains Deposited 2009-10-24	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain B 153–421（269 aa） Fragment：Ligand Binding Domain	Not recorded	754 (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid × 1 REA RETINOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；200mM potassium thiocyanate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K	Resolution 2.75 Å R-free 0.264
3A9E Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha heterodimer ligand binding domains Deposited 2009-10-24	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 B 153–421（269 aa） Fragment：Ligand Binding Domain	Not recorded	754 (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid × 2 REA RETINOIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；290 K；200mM potassium thiocyanate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K	Resolution 2.75 Å R-free 0.264
3KMR Crystal structure of RARalpha ligand binding domain in complex with an agonist ligand (Am580) and a coactivator fragment Deposited 2009-11-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 176–421（246 aa） Fragment：ligand binding domain (UNP RESIDUE 176-421)	Not recorded	EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；15% (w/v) PEG 6000, 5% (w/v) glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.80 Å R-free 0.237
4DQM Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity Deposited 2012-02-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 182–415（234 aa） Fragment：ligand binding domain, UNP RESIDUES 182-415	Not recorded	LUF (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2% v/v Tacsimate pH7.0, 5% 2-propanol, 0.1M imadazole , 8% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.259
4DQM Revealing a marine natural product as a novel agonist for retinoic acid receptors with a unique binding mode and antitumor activity Deposited 2012-02-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 182–415（234 aa） Fragment：ligand binding domain, UNP RESIDUES 182-415	Not recorded	LUF (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2% v/v Tacsimate pH7.0, 5% 2-propanol, 0.1M imadazole , 8% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.259
5K13 Crystal structure of the RAR alpha ligand-binding domain in complex with an antagonist Deposited 2016-05-17	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 176–421（246 aa） Fragment：UNP residues 176-421	Not recorded	6Q7 4-{5-(3-tert-butylphenyl)-1-[4-(methylsulfonyl)phenyl]-1H-pyrazol-3-yl}benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；298 K；10-20% PEG 3350, 0.2M di-ammonium citrate	Resolution 1.85 Å R-free 0.222
6XWG Crystal Structure of the Human RXR/RAR DNA-Binding Domain Heterodimer Bound to the Human RARb2 DR5 Response Element Deposited 2020-01-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain D 82–167（86 aa）	Not recorded	ZN ZINC ION × 4 GOL GLYCEROL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；25% PEG 3350, 0.2 M Li2SO4, 0.1 M bis-tris pH 6.5	Resolution 2.40 Å R-free 0.207
7AOS crystal structure of the RARalpha/RXRalpha ligand binding domain heterodimer in complex with a fragment of SRC1 coactivator Deposited 2020-10-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 176–421（246 aa）	Not recorded	LG2 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID × 1 GOL GLYCEROL × 1 EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；24% PEG 3350, 0.2M Na acetate, 0.1M Bis Tris Propane pH 7.0	Resolution 2.55 Å R-free 0.262
7APO Crystal structure of RARalpha ligand binding domain in complex with a fragment of the TIF2 coactivator Deposited 2020-10-19	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 176–421（246 aa） Chain B 176–421（246 aa）	Not recorded	EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Lithium Chloride, 0.1M MES pH6.0, 20% PEG6000	Resolution 2.40 Å R-free 0.241
7QAA Crystal structure of RARalpha/RXRalpha ligand binding domain heterodimer in complex with BMS614 and oleic acid Deposited 2021-11-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 85–319（235 aa）	Not recorded	OLA OLEIC ACID × 1 BMS 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；23% PEG 10,000 0.1 M Hepes, pH 7.25	Resolution 2.76 Å R-free 0.245
7WQQ Retinoic acid receptor alpha mutant - N299H Deposited 2022-01-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 176–421（246 aa）	Mutation：N299H	5Z6 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；277 K；0.05M Bis-Tris Propane pH 5.0, 0.05M Citric acid, 18% PEG 3350	Resolution 1.90 Å R-free 0.206
9GFE hRAR LBD protein in complex with AM580 agonist ligand and a stapled peptide Deposited 2024-08-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 181–415（235 aa）	Not recorded	EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；290 K；PEG 3350 20%, 0.2M Lithium Acetate, 0.05M NH4 Citrate	Resolution 1.58 Å R-free 0.229
9GFI hRAR alpha LBD-AM580 complex with staple peptide Deposited 2024-08-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 180–415（236 aa）	Not recorded	EQN 4-{[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；290 K；PEG 3350 20%, 0.2M NaSCN	Resolution 2.10 Å R-free 0.272

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

View Construct and Data Evidence

UniProt name	RARA_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 21–266； UniProt 176–421 Author chain B； PDBConstruct 21–266； UniProt 176–421

Nuclear receptor corepressor 1

OrganismNot specified

UniProt O75376

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 × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain C； UniProt 2047–2065 Chain D； UniProt 2047–2065	Fragment：NR1 Non-standard monomer：Yes (specific site not provided by mmCIF)	Retinoic acid receptor alpha × 2 （P10276） EQO 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid × 2 GOL GLYCEROL × 9	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；18% PEG 3350 (w/v), 0.15M NH4Cl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.230
2	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain C； UniProt 2047–2065	Fragment：NR1 Non-standard monomer：Yes (specific site not provided by mmCIF)	Retinoic acid receptor alpha × 2 （P10276） EQO 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid × 2 GOL GLYCEROL × 8	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；18% PEG 3350 (w/v), 0.15M NH4Cl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.230
3	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain D； UniProt 2047–2065	Fragment：NR1 Non-standard monomer：Yes (specific site not provided by mmCIF)	Retinoic acid receptor alpha × 2 （P10276） EQO 4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid × 2 GOL GLYCEROL × 10	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；18% PEG 3350 (w/v), 0.15M NH4Cl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.10 Å R-free 0.230

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 3KMZ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2EQR Solution structure of the first SANT domain from human nuclear receptor corepressor 1 Deposited 2007-03-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 433–486（54 aa） Fragment：Sant domain	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7；293 K；Ionic strength (raw mmCIF value) 120mM；Pressure ambient NMR sample composition 1.14mM 13C, 15N-labeled protein; 20mM d-Tris-HCl(pH 7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3, 90% H2O, 10% D2O \| 90% H2O/10% D2O	Resolution not provided
3H52 Crystal structure of the antagonist form of human glucocorticoid receptor Deposited 2009-04-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain N 2258–2276（19 aa） Fragment：CORNR box 3, UNP residues 2258-2276	Not recorded	486 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；VAPOR DIFFUSION, SITTING DROP	Resolution 2.80 Å R-free 0.283
3H52 Crystal structure of the antagonist form of human glucocorticoid receptor Deposited 2009-04-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain M 2258–2276（19 aa） Fragment：CORNR box 3, UNP residues 2258-2276	Not recorded	486 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；VAPOR DIFFUSION, SITTING DROP	Resolution 2.80 Å R-free 0.283
3N00 Crystal Structure of a deletion mutant of human Reverba ligand binding domain bound with an NCoR ID1 peptide determined to 2.60A Deposited 2010-05-13	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 2045–2065（21 aa） Fragment：CORNR box 2 residues 2045-2065	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；295 K；1ul of precipitant composed of 6-9% of PEG 3350, 8% glycerol, 200mM proline, 80mM HEPES was mixed with 1uL of the Rev-erba NCoR complex at 5-6 mG/Lit to obtain diffraction grade crystals, pH 7.5, VAPOR DIFFUSION, temperature 295K	Resolution 2.60 Å R-free 0.266
3N00 Crystal Structure of a deletion mutant of human Reverba ligand binding domain bound with an NCoR ID1 peptide determined to 2.60A Deposited 2010-05-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 2045–2065（21 aa） Fragment：CORNR box 2 residues 2045-2065	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；295 K；1ul of precipitant composed of 6-9% of PEG 3350, 8% glycerol, 200mM proline, 80mM HEPES was mixed with 1uL of the Rev-erba NCoR complex at 5-6 mG/Lit to obtain diffraction grade crystals, pH 7.5, VAPOR DIFFUSION, temperature 295K	Resolution 2.60 Å R-free 0.266
4MDD Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12 Deposited 2013-08-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 2260–2274（15 aa） Fragment：unp residues 2260-2274 Chain D 2260–2274（15 aa） Fragment：unp residues 2260-2274	Not recorded	29M N-[2-{[benzyl(methyl)amino]methyl}-3-(4-fluoro-2-methoxyphenyl)-5-(propan-2-yl)-1H-indol-7-yl]methanesulfonamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；294 K；100mM Tris HCl plus 6% 1,6 - Hexanediol + 24% PEG 8K, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 294K	Resolution 2.40 Å R-free 0.258
4WVD Identification of a novel FXR ligand that regulates metabolism Deposited 2014-11-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 2259–2275（17 aa） Fragment：UNP residues 2259-2275	Not recorded	FMT FORMIC ACID × 4 IVM (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；50mM HEPES pH7.0, 3.5M sodium formate	Resolution 2.90 Å R-free 0.302
4WVD Identification of a novel FXR ligand that regulates metabolism Deposited 2014-11-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2259–2275（17 aa） Fragment：UNP residues 2259-2275	Not recorded	FMT FORMIC ACID × 4 IVM (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；50mM HEPES pH7.0, 3.5M sodium formate	Resolution 2.90 Å R-free 0.302
6WMQ Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID1 Peptide Deposited 2020-04-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 2044–2066（23 aa） Chain F 2044–2066（23 aa）	Not recorded	HEM PROTOPORPHYRIN IX CONTAINING FE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；2.0 M ammonium sulfate, 0.1 M Na HEPES, pH 7.5, 2% PEG 400	Resolution 2.55 Å R-free 0.270
6XXS Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with the NcoR1 BBD1 corepressor peptide. Deposited 2020-01-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain C 1340–1356（17 aa） Chain D 1340–1356（17 aa） Chain G 1340–1356（17 aa） Chain H 1340–1356（17 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；2M Sodium chloride 5%(w/v) PEG 4000 0.1M Tris base/ Hydrochloric acid pH 8.5	Resolution 3.25 Å R-free 0.225
6XYX Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD corepressor peptide Deposited 2020-01-31	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1340–1356（17 aa） Chain D 1340–1356（17 aa）	Not recorded	NA SODIUM ION × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.2 M Sodium acetate trihydrate 0.1 M Bis-Tris propane 7.5 20 % w/v PEG 3350	Resolution 1.44 Å R-free 0.198
6XZZ Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD2 peptide Deposited 2020-02-05	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 1726–1742（17 aa）	Not recorded	NA SODIUM ION × 14 CL CHLORIDE ION × 4 TFA trifluoroacetic acid × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；13.4%(v/v) PEG 400, 0.335M K2HPO4 / NaH2PO4 pH 7.5	Resolution 1.39 Å R-free 0.206
6Y17 Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with nebulinSH3-NCoR1BBD1 Deposited 2020-02-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1733–1741（9 aa） Chain B 1733–1741（9 aa） Chain C 1340–1356（17 aa） Chain D 1340–1356（17 aa）	Not recorded	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.66 M ammonium sulfate, 3.3% (v/v) glycerol, 0.05 M magnesium sulfate, 0.1 M imidazole/ hydrochloric acid pH 6.5	Resolution 1.56 Å R-free 0.201
6ZBU Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with the NcoR1 BBD1 corepressor peptide Deposited 2020-06-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: dodecameric	Chain A 1733–1741（9 aa） Chain B 1733–1741（9 aa） Chain C 1340–1356（17 aa） Chain D 1340–1356（17 aa） Chain E 1733–1741（9 aa） Chain F 1733–1741（9 aa） Chain G 1340–1356（17 aa） Chain H 1340–1356（17 aa） Chain I 1733–1741（9 aa） Chain J 1733–1741（9 aa） Chain K 1340–1356（17 aa） Chain L 1340–1356（17 aa）	Not recorded	SO4 SULFATE ION × 28 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.34M Ammonium sulfate 0.67%(v/v) MPD 0.1M HEPES/ Sodium hydroxide pH 7.5	Resolution 2.46 Å R-free 0.259
8AS9 Crystal structure of the talin-KANK1 complex Deposited 2022-08-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: dodecameric	Chain D 1341–1356（16 aa）	Not recorded	SO4 SULFATE ION × 12 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；1M Ammonium sulfate, 0.1M CHES 9.5, 0.2M Sodium chloride, 6 % (v/v) Glycerol	Resolution 3.40 Å R-free 0.285
8D8I Crystal structure of Reverb alpha in complex with synthetic agonist Deposited 2022-06-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 2045–2064（20 aa）	Mutation：C2056A	QFX (4S)-6-[([1,1'-biphenyl]-2-yl)oxy]-3-chloro[1,2,4]triazolo[4,3-b]pyridazine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；295.15 K；80mM Na Hepes pH7.5, 200mM proline, 8% glycerol and 18% PEG3350	Resolution 2.50 Å R-free 0.239
8DKN PPARg bound to T0070907 and Co-R peptide Deposited 2022-07-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 2260–2272（13 aa）	Not recorded	EEY 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide × 1 CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；296 K；2+2 uL drops made from a 2:2:1 molar ratio of T007:NCOR peptide:PPARg and well solution containing 1.8-2.2 M (NH3)2SO4, 0.2 M Li2SO4 and 100 mM CAPS pH 9.5. Protein formulated at 20 mg mL-1 in 20 mM Tris, pH 8.0, 100 mM NaCl, and 1mM TCEP	Resolution 1.95 Å R-free 0.297
8DKV PPARg bound to JTP-426467 and Co-R peptide Deposited 2022-07-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 2259–2272（14 aa）	Not recorded	SKL 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide × 1 CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；2+2 uL drops made from a 2:2:1 molar ratio of JTP-4:NCOR peptide:PPARg and well solution containing 1.8-2.2 M (NH3)2SO4, 0.2 M Li2SO4 and 100 mM CAPS pH 9.5. Protein formulated at 20 mg mL-1 in 20 mM Tris, pH 8.0, 100 mM NaCl, and 1mM TCEP	Resolution 1.59 Å R-free 0.266
8FHE Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and GW9662 Deposited 2022-12-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2256–2278（23 aa）	Not recorded	GW9 2-chloro-5-nitro-N-phenylbenzamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000	Resolution 1.80 Å R-free 0.229
8FHG Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and ZINC5672437 Deposited 2022-12-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2256–2278（23 aa）	Not recorded	XZK N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000	Resolution 1.80 Å R-free 0.234
8FKC Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33544 Deposited 2022-12-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2256–2278（23 aa）	Not recorded	Y5F 2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000	Resolution 1.42 Å R-free 0.198
8FKD Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33068 Deposited 2022-12-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2256–2278（23 aa）	Not recorded	Y5O 2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide × 1 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000	Resolution 2.22 Å R-free 0.251
8FKE Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR32904 Deposited 2022-12-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2256–2278（23 aa）	Not recorded	Y5T 2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000	Resolution 2.02 Å R-free 0.249
8FKF Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR36706 Deposited 2022-12-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2256–2278（23 aa）	Not recorded	Y5X 2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide × 1 EDO 1,2-ETHANEDIOL × 4 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000	Resolution 1.82 Å R-free 0.216
8FKG Crystal structure of PPARgamma ligand-binding domain in complex with N-CoR peptide and inverse agonist SR33486 Deposited 2022-12-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2256–2278（23 aa）	Not recorded	GOL GLYCEROL × 2 Y62 2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 8 K POTASSIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000	Resolution 2.12 Å R-free 0.218
9O9N Crystal structure of PPARgamma ligand binding domain (LBD) in complex with NCoR1 corepressor peptide and inverse agonist FX-909 Deposited 2025-04-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 2256–2278（23 aa）	Not recorded	A1CAA (3P)-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)-4-(methanesulfonyl)benzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M MES (pH 6.5), 0.2 M Ammonium Sulfate, 30% PEG 8000	Resolution 2.10 Å R-free 0.297
9OLC Crystal structure of PPARg ligand-binding domain in complex with NCoR1 peptide and FTX-6746 Deposited 2025-05-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 2260–2272（13 aa）	Not recorded	A1CCT (3P)-4-chloro-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)benzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.1M Ammonium Sulfate, 24% PEG8000	Resolution 2.83 Å R-free 0.298
9OLC Crystal structure of PPARg ligand-binding domain in complex with NCoR1 peptide and FTX-6746 Deposited 2025-05-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 2260–2272（13 aa）	Not recorded	A1CCT (3P)-4-chloro-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)benzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.1M Ammonium Sulfate, 24% PEG8000	Resolution 2.83 Å R-free 0.298
9OLC Crystal structure of PPARg ligand-binding domain in complex with NCoR1 peptide and FTX-6746 Deposited 2025-05-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 2260–2272（13 aa）	Not recorded	A1CCT (3P)-4-chloro-3-(5,7-difluoro-4-oxo-1,4-dihydroquinolin-2-yl)benzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.1M Ammonium Sulfate, 24% PEG8000	Resolution 2.83 Å R-free 0.298
9OLC Crystal structure of PPARg ligand-binding domain in complex with NCoR1 peptide and FTX-6746 Deposited 2025-05-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 2260–2272（13 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291 K；0.1 M MES pH 6.5, 0.1M Ammonium Sulfate, 24% PEG8000	Resolution 2.83 Å R-free 0.298

24 other PDB entries and 30 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	NCOR1_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 1–19； UniProt 2047–2065 Author chain D； PDBConstruct 1–19； UniProt 2047–2065

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	3kmz
Deposition date deposition_date	2009-11-11
Structure title title	Crystal structure of RARalpha ligand binding domain in complex with the inverse agonist BMS493 and a corepressor fragment
Keywords keywords	;nuclear receptor transcription factor ligand binding domain, DNA-binding, Metal-binding, Nucleus, Phosphoprotein, Proto-oncogene, Receptor, Transcription, Transcription regulation, Zinc-finger, Chromatin regulator, Repressor ;; 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	30.26 Å
Radius of gyration Rg (electron density) rg_electron	30.18 Å
Forward intensity I(0) i0	48311900.00
Molecular weight molecular_weight	55949.0 kDa
Excluded volume excluded_volume	70772 Å³
Envelope volume envelope_volume	85962 Å³
Hydration-shell volume shell_volume	25758 Å³
Envelope diameter envelope_diameter	109.9 Å
Shell Rg shell_rg	34.26 Å
Envelope Rg envelope_rg	30.58 Å
Shape Rg shape_rg	30.15 Å
Total Rg total_rg	30.69 Å
Total atoms total_atoms	3914
Residues n_residues	478
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	105.2 Å
Rg (real space) rg_real	30.62 Å
Rg uncertainty (real space) rg_real_error	0.91 Å
I(0) (real space) i0_real	4.8310e+07
I(0) uncertainty (real space) i0_real_error	8.8760e+05
Rg (reciprocal space) rg_reciprocal	30.47 Å
I(0) (reciprocal space) i0_reciprocal	48310000.0000
Solution quality estimate total_estimate	0.6010
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	26.3 Å
Skewness Skewness skewness	0.567
Kurtosis Kurtosis kurtosis	-0.416
Angular range angular_range	— – 0.2600 Å⁻¹
Current regularization parameter α current_alpha	0.0001
Highest regularization parameter α highest_alpha	14090000.0000
Real-space data points n_real_points	53
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.595; Stabil: 1.000; Sysdev: 0.193; Positv: 1.000; Valcen: 0.524; Smooth: 0.918

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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	Retinoic acid receptor alpha
Molecular weight formula_weight	29967.6 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,A
Atom count atom_count	4262

MGSSHHHHHHSSGLVPRGSHESYTLTPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGLD

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 polymer

Description description	Nuclear receptor corepressor 1
Molecular weight formula_weight	2246.6 kDa
Source method src_method	syn
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,D

RLITLADHICQIITQDFAR

Entity 3 Entity 3 non-polymer

Description description	4-{(E)-2-[5,5-dimethyl-8-(phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl}benzoic acid
Molecular weight formula_weight	404.5 kDa
Source method src_method	syn
Copy count entity_count	2

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	9

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	298

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	3kmzA00
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	3kmzB00
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	104.831 Å
Unit-cell length b length_b	105.625 Å
Unit-cell length c length_c	53.382 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	89.92 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

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

Resolution resolution	2.100 Å
Low-resolution limit resolution_low	43.400 Å
R factor r_factor	0.1750
R_work r_work	0.1721
R_free r_free	0.2297

fit	/app/data/saxs_computation/km/3kmz/3kmz.fit
pddf	/app/data/pr_computation/km/3kmz/3kmz.pr.out
profile	/app/data/saxs_computation/km/3kmz/3kmz.dat

Crystal structure of RARalpha ligand binding domain in complex with the inverse agonist BMS493 and a corepressor fragment

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

Retinoic acid receptor alpha

State in the Current Structure

Other States of the Same Protein in the Database

Nuclear receptor corepressor 1

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

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)