8xsb

Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Indirubin

Method: X-RAY DIFFRACTION D_max: 134.4 Å Quality: GOOD

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

Aryl hydrocarbon receptor nuclear translocator

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–DNA Heteromer Protein × 2 DNA 2 PDB declaration: tetrameric（4） Consistent with all polymer counts	Chain A； UniProt 85–465	Not recorded	Aryl hydrocarbon receptor × 1 （I3LF82） DNAF × 1 DNAR × 1 JY6 (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 3.06 Å R-free 0.240

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 8XSB	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1X0O human ARNT C-terminal PAS domain Deposited 2005-03-25	Different construct 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 356–470（115 aa） Fragment：C-TERMINAL PAS DOMAIN	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 17mM NaCl；Pressure ambient NMR measurement conditions pH 6.6；310 K；Ionic strength (raw mmCIF value) 17mM NaCl；Pressure ambient NMR sample composition 1mM hARNT C-term PAS Domain U-15N,13C; 50mM Tris buffer; 17mM NaCl, 5mM DTT \| 90% H2O/10% D2O NMR sample composition 0.478mM hARNT C-term PAS Domain U-15N; 50mM Tris buffer; 17mM NaCl, 5mM DTT \| 93% H2O/7% D2O	Resolution not provided
2A24 HADDOCK Structure of HIF-2a/ARNT PAS-B Heterodimer Deposited 2005-06-21	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 358–465（108 aa） Fragment：C-terminal PAS domain (PAS-B)	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.5；Ionic strength (raw mmCIF value) 50mM Tris, 17mM NaCl, 5mM DTT NMR sample composition 250 micro M (15N)HIF-2alpha PAS-B (240-350) + 1mM ARNT PAS-B (356-470), 50mM Tris (pH=7.5), 17mM NaCl, 5mM DTT NMR sample composition 250 micro M (15N)ARNT PAS-B (356-470) + 1mM HIF-2alpha PAS-B (240-350), 50mM Tris (pH=7.5), 17mM NaCl, 5mM DTT	Resolution not provided
2B02 Crystal Structure of ARNT PAS-B Domain Deposited 2005-09-12	Different construct Different mutation/modification 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 354–470（117 aa） Fragment：PAS-B Domain	Mutation：C358S Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.65；295 K；Ammonium sulfate, PEG 400, HEPES, pH 8.65, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 1.50 Å R-free 0.208
2HV1 HADDOCK structure of ARNT PAS-B Homodimer Deposited 2006-07-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 356–470（115 aa） Fragment：C-terminal PAS domain (PAS-B), residues 356-470 Chain B 356–470（115 aa） Fragment：C-terminal PAS domain (PAS-B), residues 356-470	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.5；298 K；Ionic strength (raw mmCIF value) 50mM Tris, 17mM NaCl NMR sample composition 1mM down to 125 micro M (15N) ARNT PAS-B, 50mM Tris, 17mM NaCl, 5mM DTT NMR sample composition 75 micro M (15N) ARNT PAS-B, 400 micro M ARNT PAS-B with CMSTL spin label attached (to C358 or C451), 50mM Tris, 17mM NaCl	Resolution not provided
2K7S Human ARNT C-Terminal PAS Domain, 3 Residue IB slip Deposited 2008-08-20	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 356–470（115 aa） Fragment：ARNT PAS-B	Mutation：F444Q, F446A, Y456T	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.5；298 K；Ionic strength (raw mmCIF value) 17；Pressure ambient NMR sample composition 900 uM [U-98% 13C; U-98% 15N] ARNT PAS-B Slipped IB Strand, 50 mM TRIS, 17 mM sodium chloride, 5 mM DTT, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
3F1N Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with internally bound ethylene glycol. Deposited 2008-10-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 356–470（115 aa） Fragment：ARNT C-terminal PAS domain	Mutation：E362R	EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions vapor diffusion combined with microseeding；pH 6.5；293 K；30% PEG 3350, 0.1M BisTris, 0.05M Tris, 0.017M NaCl, 0.005M DTT, pH 6.5, vapor diffusion combined with microseeding, temperature 293K	Resolution 1.48 Å R-free 0.199
3F1O Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains, with an internally-bound artificial ligand Deposited 2008-10-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 356–470（115 aa） Fragment：ARNT C-terminal PAS domain	Mutation：E362R	2XY N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions vapor diffusion combined with microseeding；pH 6.5；293 K；30% PEG 3350, 0.1M BisTris, 0.05M Tris, 0.017M NaCl, 0.005M DTT , pH 6.5, vapor diffusion combined with microseeding, temperature 293K	Resolution 1.60 Å R-free 0.203
3F1P Crystal structure of a high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains Deposited 2008-10-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 356–470（115 aa） Fragment：ARNT C-terminal PAS domain	Mutation：E362R	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions vapor diffusion combined with microseeding；pH 6.5；293 K；30% PEG3350, 0.1M BisTris, 0.05M Tris, 0.017M NaCl, 0.005M DTT, pH 6.5, vapor diffusion combined with microseeding, temperature 293K	Resolution 1.17 Å R-free 0.167
3H7W Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS017 Deposited 2009-04-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 356–470（115 aa） Fragment：ARNT C-terminal PAS domain (UNP residues 356 to 470)	Mutation：E362R	018 2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.1M BisTris, 17% PEG3350, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.65 Å R-free 0.236
3H82 Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains with the artificial ligand THS020 Deposited 2009-04-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 356–470（115 aa） Fragment：ARNT C-terminal PAS domain (UNP residues 356 to 470)	Mutation：E362R	020 N-(furan-2-ylmethyl)-2-nitro-4-(trifluoromethyl)aniline × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.1M BisTris, 25% PEG3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.50 Å R-free 0.234
4EQ1 Crystal Structure of the ARNT PAS-B homodimer Deposited 2012-04-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 357–464（108 aa） Fragment：PAS-B domain (UNP residues 357-464) Chain B 357–464（108 aa） Fragment：PAS-B domain (UNP residues 357-464)	Not recorded	PE5 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2M Ammonium Sulfate, 3% PEG400, 1% PEI, 50mM Tris pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.60 Å R-free 0.227
4GHI Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a benzoxadiazole antagonist Deposited 2012-08-07	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 356–470（115 aa） Fragment：C-terminal PAS domain, UNP residues 356-470	Mutation：E362R	0X3 N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；293 K；20% PEG400 50 mM BisTris, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.50 Å R-free 0.196
4GS9 Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with an inactive benzoxadiazole antagonist Deposited 2012-08-27	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 356–470（115 aa） Fragment：ARNT PAS-B domain, UNP residues 356-470	Mutation：E362R	0XB N-(3-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine × 1 PE8 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；293 K；20% PEG 3350 50 mM BISTRIS, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.72 Å R-free 0.202
4H6J Identification of Cys 255 in HIF-1 as a novel site for development of covalent inhibitors of HIF-1 /ARNT PasB domain protein-protein interaction. Deposited 2012-09-19	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 357–470（114 aa） Fragment：PAS-B DOMAIN, UNP residues 357-470	Mutation：E362R	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG 8000, 0.2M MgCl2, 0.1M Tris pH 8.5 , VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.52 Å R-free 0.248
4LPZ ARNT transcription factor/coactivator complex Deposited 2013-07-16	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 A 356–470（115 aa） Fragment：PAS 2 and PAC domain residues 356-470 Chain B 356–470（115 aa） Fragment：PAS 2 and PAC domain residues 356-470	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1M Succinic acid, 30% w/v D-Sorbitol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.15 Å R-free 0.272
4PKY ARNT/HIF transcription factor/coactivator complex Deposited 2014-05-15	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 A 342–456（115 aa） Fragment：C-terminal PAS 2 domain residues 342-456	Not recorded	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；1.6 M magnesium sulfate, 0.1 M MES pH 6.5, 20% (w/v) ethylene glycol	Resolution 3.20 Å R-free 0.270
4PKY ARNT/HIF transcription factor/coactivator complex Deposited 2014-05-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain D 342–456（115 aa） Fragment：C-terminal PAS 2 domain residues 342-456	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；1.6 M magnesium sulfate, 0.1 M MES pH 6.5, 20% (w/v) ethylene glycol	Resolution 3.20 Å R-free 0.270
4XT2 Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a tetrazole-containing antagonist Deposited 2015-01-22	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 342–456（115 aa） Fragment：C-terminal PAS domain (UNP residues 342-456)	Mutation：E362R	43L (5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293.15 K；2 uL 500 uM protein against 100 mM Bis-Tris, 25% PEG3350	Resolution 1.70 Å R-free 0.192
4XT2 Crystal structure of the high affinity heterodimer of HIF2 alpha and ARNT C-terminal PAS domains in complex with a tetrazole-containing antagonist Deposited 2015-01-22	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 342–456（115 aa） Fragment：C-terminal PAS domain (UNP residues 342-456)	Mutation：E362R	43L (5S,7R)-5,7-bis(3-bromophenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293.15 K；2 uL 500 uM protein against 100 mM Bis-Tris, 25% PEG3350	Resolution 1.70 Å R-free 0.192
5TBM Crystal structure of PT2385 bound to HIF2a-B:ARNT-B complex Deposited 2016-09-12	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 340–453（114 aa） Fragment：UNP residues 340-453	Not recorded	79A 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.4；293 K；50 mM Bis-Tris pH5.4, 16% PEG 3350. use freshly crushed crystal as seed.	Resolution 1.85 Å R-free 0.300
5TBM Crystal structure of PT2385 bound to HIF2a-B:ARNT-B complex Deposited 2016-09-12	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 B 340–453（114 aa） Fragment：UNP residues 340-453	Not recorded	79A 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.4；293 K；50 mM Bis-Tris pH5.4, 16% PEG 3350. use freshly crushed crystal as seed.	Resolution 1.85 Å R-free 0.300
5UFP Crystal structure of PT2399 bound to HIF2a-B:ARNT-B complex Deposited 2017-01-05	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 342–453（112 aa） Fragment：UNP residues 342-453	Not recorded	86D 3-({(1S)-7-[(difluoromethyl)sulfonyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)-5-fluorobenzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；complex of HIF2-B:ARNT-B 10-12 mg/mL in 10 mM Tris-HCl, pH8.0 and 50 mM KCl; Crystallization buffer of 50 mM Bis-Tris, pH5.4 and 16% PEG3350.	Resolution 1.90 Å R-free 0.271
5V0L Crystal structure of the AHR-ARNT heterodimer in complex with the DRE Deposited 2017-02-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 70–346（277 aa）	Not recorded	PEG DI(HYDROXYETHYL)ETHER × 2 CIT CITRIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；277 K；10%-12% PEG 20000, 4-6% Tacsimate pH 7.0 or 0.1 M Bis-Tris pH 6.5	Resolution 4.00 Å R-free 0.323
6CZW Crystal structure of PT1940 bound to HIF2a-B:ARNT-B complex Deposited 2018-04-09	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 356–470（115 aa） Fragment：residues 356-470	Mutation：E13R	FO7 {2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；50 mM Bis-Tris pH5.4, 16% PEG 3350. Seed with crushed crystal right after drops are set up	Resolution 1.60 Å R-free 0.251
6CZW Crystal structure of PT1940 bound to HIF2a-B:ARNT-B complex Deposited 2018-04-09	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 356–470（115 aa） Fragment：residues 356-470	Mutation：E13R	FO7 {2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；50 mM Bis-Tris pH5.4, 16% PEG 3350. Seed with crushed crystal right after drops are set up	Resolution 1.60 Å R-free 0.251
6D09 Crystal structure of PT2440 bound to HIF2a-B:ARNT-B complex Deposited 2018-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 356–470（115 aa） Fragment：residues 356-470	Mutation：E13R	FOJ 3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；50 mM Bis-Tris pH5.4 and 16% PEG3350. Seeding with crushed crystals right after setup	Resolution 1.85 Å R-free 0.282
6D09 Crystal structure of PT2440 bound to HIF2a-B:ARNT-B complex Deposited 2018-04-10	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 356–470（115 aa） Fragment：residues 356-470	Mutation：E13R	FOJ 3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；50 mM Bis-Tris pH5.4 and 16% PEG3350. Seeding with crushed crystals right after setup	Resolution 1.85 Å R-free 0.282
6D0B Crystal structure of PT1614 bound to HIF2a-B:ARNT-B complex Deposited 2018-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 356–470（115 aa） Fragment：residues 356-470	Mutation：E13R	FOV N-(3-chloro-5-fluorophenyl)-2-nitro-4-(trifluoromethanesulfonyl)aniline × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；Bis-Tris pH5.4, 16% PEG3350. Seeding right after setup using crushed crystals	Resolution 1.60 Å R-free 0.235
6D0B Crystal structure of PT1614 bound to HIF2a-B:ARNT-B complex Deposited 2018-04-10	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 356–470（115 aa） Fragment：residues 356-470	Mutation：E13R	FOV N-(3-chloro-5-fluorophenyl)-2-nitro-4-(trifluoromethanesulfonyl)aniline × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；Bis-Tris pH5.4, 16% PEG3350. Seeding right after setup using crushed crystals	Resolution 1.60 Å R-free 0.235
6D0C Crystal structure of HIF2a-B:ARNT-B complex Deposited 2018-04-10	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 356–470（115 aa） Fragment：residues 356-470	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；Bis-Tris, pH5.4 and 16% PEG3350, Seeding with crushed crystals right after setup	Resolution 1.50 Å R-free 0.240
6X21 Crystal structure of PT1673 bound to HIF2a-B:ARNT-B complex Deposited 2020-05-19	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 356–467（112 aa）	Mutation：E362R	UKJ 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；Bis-Tris, pH5.4, 16% PEG3350	Resolution 1.54 Å R-free 0.233
6X28 Crystal structure of PT2243 bound to HIF2a-B:ARNT-B complex Deposited 2020-05-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 356–467（112 aa）	Mutation：E362R	ULG (1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；Bis-Tris, pH5.4, 16% PEG3350	Resolution 1.92 Å R-free 0.287
6X2H Crystal structure of PT2863 bound to HIF2a-B:ARNT-B complex Deposited 2020-05-20	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 356–467（112 aa）	Not recorded	ULD cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；Bis-Tris pH5.4, 16% 3350	Resolution 2.00 Å R-free 0.258
6X37 Crystal structure of PT3245 bound to HIF2a-B:ARNT-B complex Deposited 2020-05-21	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 B 356–467（112 aa）	Mutation：E362R	ULS 3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；Bis-Tris, pH5.4, 16% PEG 3350	Resolution 1.94 Å R-free 0.282
6X3D Crystal structure of PT3388 bound to HIF2a-B:ARNT-B complex Deposited 2020-05-21	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 B 342–453（112 aa）	Mutation：E362R	ULM (6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；293 K；Bis-Tris, pH5.4 and 16% PEG 3350	Resolution 2.00 Å R-free 0.277
8CK3 STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-(3,5-Difluoro-phenyl)-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol Deposited 2023-02-14	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 356–470（115 aa）	Not recorded	UXU (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；22% PEG 3350, 0.1 M BIS TRIS pH 6.0	Resolution 1.71 Å R-free 0.227
8CK4 STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (4S)-1-(3,5-difluorophenyl)-5,5-difluoro-3-methanesulfonyl-4,5,6,7-tetrahydro-2-benzothiophen-4-ol Deposited 2023-02-14	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 356–470（115 aa）	Not recorded	UY3 (4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；17% (w/v) PEG3350 ; 0.1 M BisTris pH 6.25	Resolution 2.29 Å R-free 0.251
8CK8 STRUCTURE OF HIF2A-ARNT HETERODIMER IN COMPLEX WITH (S)-1-Cyclohexyloxy-5,5-difluoro-3-methanesulfonyl-5,6-dihydro-4H-cyclopenta[c]thiophen-4-ol Deposited 2023-02-14	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 356–470（115 aa）	Not recorded	UYF (4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；17% (w/v) PEG3350 ; 0.1 M BisTris pH 6.25	Resolution 2.30 Å R-free 0.276
8G4A Human ARNT PAS-B complexed with KG-548 small molecule Deposited 2023-02-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 356–470（115 aa） Chain B 356–470（115 aa）	Not recorded	YL8 5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1 M MES pH 6.5, 1.6 M magnesium sulfate, 2:1 (protein:condition)	Resolution 1.97 Å R-free 0.229
8XS6 Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Tapinarof Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 85–465（381 aa）	Not recorded	A1LWH Tapinarof × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 2.95 Å R-free 0.271
8XS7 Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with FICZ Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 85–465（381 aa）	Not recorded	DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 A1LWI 5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 2.77 Å R-free 0.267
8XS8 Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Benzo[a]pyrene Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 85–465（381 aa）	Not recorded	W62 benzo[a]pyrene × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 3.11 Å R-free 0.230
8XS9 Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with beta-Naphthoflavone Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 85–465（381 aa）	Not recorded	DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 A1LWJ (3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 2.80 Å R-free 0.264
8XSA Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Indigo Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 85–465（381 aa）	Not recorded	DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 A1LWK 2-(3-oxidanyl-1H-indol-2-yl)indol-3-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 2.60 Å R-free 0.249
9I64 Crystal structure of Casdatifan bound to HIF2a-B:ARNT-B complex Deposited 2025-01-29	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 355–470（116 aa）	Not recorded	A1I0H (5~{R},6~{S},8~{R})-3,5,6-tris(fluoranyl)-8-[(1~{S},2~{R})-2-fluoranyl-7-methylsulfonyl-1-oxidanyl-2,3-dihydro-1~{H}-inden-4-yl]-5,6,7,8-tetrahydronaphthalene-1-carbonitrile × 1 FMT FORMIC ACID × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.10 M Sodium Acetate, 1.25 M Sodium Fluoride	Resolution 1.56 Å R-free 0.214
9OF0 Cryo-EM Structure of Human HIF-2a-ARNT Complexed on 20-bp HRE Deposited 2025-04-29	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 91–470（380 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4；50mM HEPES, 150mM NaCl, 5mM MgCl2 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.60 Å
9OF2 Dimer of HIF-2a-ARNT Heterodimers Complexed on 51-bp HRE/HAS Deposited 2025-04-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric	Chain D 91–470（380 aa） Chain F 91–470（380 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4；50mM HEPES, 150mM NaCl, 5mM MgCl2 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.70 Å
9OFU Dimer of HIF-1a-ARNT Heterodimers Complexed on 52-bp HRE/HAS Deposited 2025-04-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 4 PDB declaration: hexameric	Chain B 91–470（380 aa） Chain D 91–470（380 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4；50mM HEPES, 150mM NaCl, 5mM MgCl2 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.90 Å

42 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ARNT_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–382； UniProt 85–465

Aryl hydrocarbon receptor

Sus scrofa

UniProt I3LF82

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–DNA Heteromer Protein × 2 DNA 2 PDB declaration: tetrameric（4） Consistent with all polymer counts	Chain B； UniProt 26–413	Not recorded	Aryl hydrocarbon receptor nuclear translocator × 1 （P27540） DNAF × 1 DNAR × 1 JY6 (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 3.06 Å R-free 0.240

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 8XSB	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
8XS6 Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Tapinarof Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 26–413（388 aa）	Not recorded	A1LWH Tapinarof × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 2.95 Å R-free 0.271
8XS7 Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with FICZ Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 26–413（388 aa）	Not recorded	DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 A1LWI 5,11-dihydroindolo[3,2-b]carbazole-12-carbaldehyde × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 2.77 Å R-free 0.267
8XS8 Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Benzo[a]pyrene Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 26–413（388 aa）	Not recorded	W62 benzo[a]pyrene × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 3.11 Å R-free 0.230
8XS9 Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with beta-Naphthoflavone Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 26–413（388 aa）	Not recorded	DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 A1LWJ (3R)-3-phenyl-2,3-dihydrobenzo[f]chromen-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 2.80 Å R-free 0.264
8XSA Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Indigo Deposited 2024-01-09	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 26–413（388 aa）	Not recorded	DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 A1LWK 2-(3-oxidanyl-1H-indol-2-yl)indol-3-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289 K；potassium citrate tribasic monohydrate, PEG3350	Resolution 2.60 Å R-free 0.249

5 other PDB entries and 5 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	I3LF82_PIG
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 2–389； UniProt 26–413

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	8xsb
Deposition date deposition_date	2024-01-09
Structure title title	Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Indirubin
Keywords keywords	Aryl hydrocarbon receptor, Indirubin, bHLH-PAS, 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	37.32 Å
Radius of gyration Rg (electron density) rg_electron	35.97 Å
Forward intensity I(0) i0	133986000.00
Molecular weight molecular_weight	84314.0 kDa
Excluded volume excluded_volume	101980 Å³
Envelope volume envelope_volume	141950 Å³
Hydration-shell volume shell_volume	35914 Å³
Envelope diameter envelope_diameter	139.8 Å
Shell Rg shell_rg	38.71 Å
Envelope Rg envelope_rg	35.65 Å
Shape Rg shape_rg	35.86 Å
Total Rg total_rg	36.48 Å
Total atoms total_atoms	5879
Residues n_residues	659
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	134.4 Å
Rg (real space) rg_real	37.69 Å
Rg uncertainty (real space) rg_real_error	1.70 Å
I(0) (real space) i0_real	1.3400e+08
I(0) uncertainty (real space) i0_real_error	2.6150e+06
Rg (reciprocal space) rg_reciprocal	37.46 Å
I(0) (reciprocal space) i0_reciprocal	134000000.0000
Solution quality estimate total_estimate	0.8360
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	35.2 Å
Skewness Skewness skewness	0.499
Kurtosis Kurtosis kurtosis	-0.323
Angular range angular_range	— – 0.2100 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	7191000.0000
Real-space data points n_real_points	43
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.735; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.763; Smooth: 0.895

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	Aryl hydrocarbon receptor nuclear translocator
Molecular weight formula_weight	43231.1 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	5912

MDKERLARENHSEIERRRRNKMTAYITELSDMVPTCSALARKPDKLTILRMAVSHMKSLRGTGNTSTDGSYKPSFLTDQELKHLILEAADGFLFIVSCETGRVVYVSDSVTPVLNQPQSEWFGSTLYDQVHPDDVDKLREQLSTSENALTGRILDLKTGTVKKEGQQSSMRMCMGSRRSFICRMRCGSSSVDPVSVNRLSFVRNRCRNGLGSVKDGEPHFVVVHCTGYIKAWPPAGVSLPDDDPEAGQGSKFCLVAIGRLQVTSSPNCTDMSNVCQPTEFISRHNIEGIFTFVDHRCVATVGYQPQELLGKNIVEFCHPEDQQLLRDSFQQVVKLKGQVLSVMFRFRSKNQEWLWMRTSSFTFQNPYSDEIEYIICTNTNVK

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 BL21(DE3)

Entity 2 Entity 2 polymer

Description description	Aryl hydrocarbon receptor
Molecular weight formula_weight	45242.7 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

MIPAEGIKSNPSKRHRDRLNTELDRLASLLPFPQDVINKLDKLSVLRLSVSYLRAKSFFDVSLKSSPADRNGVQDNCRTKFREGLNLQEGEFLLQALNGFVLVVTTDALVFYASSTIQDYLGFQQSDVIHQSVYELIHTEDRAEFQRQLHWALNPSQCPDSGQRIDEASGLSQPAAYYNPEQLPPENSFMERCFVCRLRCLLDNSSGFLAMNFQGRLKYLHGQNKKGKDGSILPPQLALFAIATPLQPPSILEIRTKNFIFRTKHKLDFTPTGCDAKGKIVLGYTEAELCMRGTGYQFIHAADMLYCAEYHVRMIKTGESGMIVFRLLTKDNRWTWVQSNARLVYKNGRPDYIIATQRPLTDEEGKEHLRKRTLKLPFMFATGEAVLYEHHHHHH

来源 Source

来源生物 organism	Sus scrofa
通用名 common_name	pig
NCBI Class编号 ncbi_taxonomy_id	9823
宿主生物 host_organism	Escherichia coli BL21(DE3)

Entity 3 Entity 3 polymer

Description description	DNAF
Molecular weight formula_weight	6473.2 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer Polymer

Polymer type type	polydeoxyribonucleotide
Chain IDs strand_id	C

CATCGGGCATCGCGTGACAAG

Entity 4 Entity 4 polymer

Description description	DNAR
Molecular weight formula_weight	6415.1 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer Polymer

Polymer type type	polydeoxyribonucleotide
Chain IDs strand_id	D

GCTTGTCACGCGATGCCCGAT

Entity 5 Entity 5 non-polymer

Description description	(3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one
Molecular weight formula_weight	262.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	23

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8. Citations (1)

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Unit-cell length a length_a	68.100 Å
Unit-cell length b length_b	99.632 Å
Unit-cell length c length_c	80.002 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.51 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	3.060 Å
Low-resolution limit resolution_low	36.000 Å
R factor r_factor	0.2021
R_work r_work	0.2001
R_free r_free	0.2402

fit	/app/data/saxs_computation/xs/8xsb/8xsb.fit
pddf	/app/data/pr_computation/xs/8xsb/8xsb.pr.out
profile	/app/data/saxs_computation/xs/8xsb/8xsb.dat

Crystal structure of the DNA-bound AHR-ARNT heterodimer in complex with Indirubin

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

Aryl hydrocarbon receptor nuclear translocator

State in the Current Structure

Other States of the Same Protein in the Database

Aryl hydrocarbon receptor

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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 polymer

Polymer Polymer

Entity 4 Entity 4 polymer

Polymer Polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)