8w86

HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02

Method: X-RAY DIFFRACTION D_max: 164.0 Å Quality: REASONABLE

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

HLA class II histocompatibility antigen, DQ alpha 1 chain

Homo sapiens

UniProt P01909

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 24–206	Mutation：C47S	DQN0385AE02 Fab heavy chain × 1 DQN0385AE02 Fab light chain × 1 MHC class II HLA-DQ-beta-1 - B/C hordein peptide chimeric protein × 1 （O19712） NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5.5；294 K；0.1 M MES monohydrate (pH5.5), 12.0 %w/v Polyethylene glycol 8,000, 0.1 M Calcium acetate hydrate, and 30 %v/v Ethylene glycol as cryoprotectant	Resolution 2.24 Å R-free 0.280
2	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain G； UniProt 24–206	Mutation：C47S	DQN0385AE02 Fab heavy chain × 1 DQN0385AE02 Fab light chain × 1 MHC class II HLA-DQ-beta-1 - B/C hordein peptide chimeric protein × 1 （O19712） NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5.5；294 K；0.1 M MES monohydrate (pH5.5), 12.0 %w/v Polyethylene glycol 8,000, 0.1 M Calcium acetate hydrate, and 30 %v/v Ethylene glycol as cryoprotectant	Resolution 2.24 Å R-free 0.280

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 8W86	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1S9V Crystal structure of HLA-DQ2 complexed with deamidated gliadin peptide Deposited 2004-02-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 24–216（193 aa） Fragment：residues (-1)-191	Not recorded	EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.5；300 K；sodium acetate, ammonium acetate, ammonium sulfate, ethylene glycol, PEG 3350, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	Resolution 2.22 Å R-free 0.283
1S9V Crystal structure of HLA-DQ2 complexed with deamidated gliadin peptide Deposited 2004-02-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain D 24–216（193 aa） Fragment：residues (-1)-191	Not recorded	EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.5；300 K；sodium acetate, ammonium acetate, ammonium sulfate, ethylene glycol, PEG 3350, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K	Resolution 2.22 Å R-free 0.283
4GG6 Protein complex Deposited 2012-08-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa） Fragment：EXTRACELLULAR DOMAINS, UNP RESIDUES 24-206	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；0.2M SODIUM ACETATE, 0.1M MES PH 6.5, 17% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 3.20 Å R-free 0.285
4GG6 Protein complex Deposited 2012-08-06	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain C 24–206（183 aa） Fragment：EXTRACELLULAR DOMAINS, UNP RESIDUES 24-206	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；294 K；0.2M SODIUM ACETATE, 0.1M MES PH 6.5, 17% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 3.20 Å R-free 0.285
4OZF JR5.1 protein complex Deposited 2014-02-15	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 0.15 - 0.25M CaOAc, 0.1M Tris/HCl, 12-18% PEG3350, Additives:2-3 mM reduced and oxidised Glutathione	Resolution 2.70 Å R-free 0.238
4OZG D2 protein complex Deposited 2014-02-16	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 0.15- 0.25M CaOAc, 0.1 M Tris/HCl, 12-18% PEG3350, Additives: 2-3 mM reduced and oxidised Glutathione	Resolution 3.00 Å R-free 0.241
4OZG D2 protein complex Deposited 2014-02-16	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Heteromer；Protein × 5 PDB declaration: pentameric	Chain C 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 0.15- 0.25M CaOAc, 0.1 M Tris/HCl, 12-18% PEG3350, Additives: 2-3 mM reduced and oxidised Glutathione	Resolution 3.00 Å R-free 0.241
4OZH S16 protein complex Deposited 2014-02-16	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 0.15- 0.25M CaOAc, 0.1 M Tris/HCl, 12-18% PEG3350, Additives: 2-3 mM reduced and oxidised Glutathione	Resolution 2.80 Å R-free 0.243
4OZH S16 protein complex Deposited 2014-02-16	Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain C 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 0.15- 0.25M CaOAc, 0.1 M Tris/HCl, 12-18% PEG3350, Additives: 2-3 mM reduced and oxidised Glutathione	Resolution 2.80 Å R-free 0.243
4OZI S2 protein complex Deposited 2014-02-16	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 0.15- 0.25M CaOAc, 0.1 M Tris/HCl, 12-18% PEG3350, Additives: 2-3 mM reduced and oxidised Glutathione	Resolution 3.20 Å R-free 0.243
4OZI S2 protein complex Deposited 2014-02-16	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain C 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 0.15- 0.25M CaOAc, 0.1 M Tris/HCl, 12-18% PEG3350, Additives: 2-3 mM reduced and oxidised Glutathione	Resolution 3.20 Å R-free 0.243
5KSA Bel602-DQ8.5-glia-gamma1 complex Deposited 2016-07-08	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1 M Ca-Acetate, 21 % PEG3350, Tris pH 8.0	Resolution 2.00 Å R-free 0.206
5KSB T15-DQ8.5-glia-gamma1 complex Deposited 2016-07-08	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；8% Tacsimate pH 7.5, 20% PEG3350	Resolution 2.90 Å R-free 0.254
5KSB T15-DQ8.5-glia-gamma1 complex Deposited 2016-07-08	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Heteromer；Protein × 5 PDB declaration: pentameric	Chain C 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；8% Tacsimate pH 7.5, 20% PEG3350	Resolution 2.90 Å R-free 0.254
5KSU Crystal structure of HLA-DQ2.5-CLIP1 at 2.73 resolution Deposited 2016-07-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 24–216（193 aa） Fragment：UNP residues 1-193	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；PEG 8000, ammonium sulphate, sodium cacodylate, glycerol	Resolution 2.73 Å R-free 0.249
5KSU Crystal structure of HLA-DQ2.5-CLIP1 at 2.73 resolution Deposited 2016-07-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain D 24–216（193 aa） Fragment：UNP residues 1-193	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；PEG 8000, ammonium sulphate, sodium cacodylate, glycerol	Resolution 2.73 Å R-free 0.249
6MFF HLA-DQ2-glia-omega1 Deposited 2018-09-10	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 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；23% PEG3350 and 0.1 M NaH2PO4, pH 6	Resolution 2.60 Å R-free 0.250
6MFG HLA-DQ2-glia-alpha1 Deposited 2018-09-10	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 24–206（183 aa） Chain C 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；23% PEG3350 and 0.1 M NaH2PO4, pH 6	Resolution 2.00 Å R-free 0.222
6U3M DQ2-P.fluor-alpha1a Deposited 2019-08-22	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 24–206（183 aa）	Not recorded	GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG3350 and 0.15M NH4H2PO4	Resolution 1.90 Å R-free 0.220
6U3M DQ2-P.fluor-alpha1a Deposited 2019-08-22	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 A 24–206（183 aa）	Not recorded	GOL GLYCEROL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG3350 and 0.15M NH4H2PO4	Resolution 1.90 Å R-free 0.220
7SG0 W316 TCR in complex with HLA-DQ2-omega1 Deposited 2021-10-04	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；24% PEG3350, 0.25 M (NH4)2SO4 and 0.1 M Tris/HCl at pH 8.0	Resolution 3.00 Å R-free 0.230
7SG1 XPA5 TCR in complex with HLA-DQ2-alpha1 Deposited 2021-10-04	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 1 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 16-18% PEG3350, 0.12-0.14 M CaOAc, 0.1 M Tris/HCl at pH 8.0, Additives: 2 mM reduced and oxidised Glutathione	Resolution 3.10 Å R-free 0.258
7SG1 XPA5 TCR in complex with HLA-DQ2-alpha1 Deposited 2021-10-04	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain F 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 16-18% PEG3350, 0.12-0.14 M CaOAc, 0.1 M Tris/HCl at pH 8.0, Additives: 2 mM reduced and oxidised Glutathione	Resolution 3.10 Å R-free 0.258
7SG2 XPA5 TCR in complex with HLA-DQ2-omega1 Deposited 2021-10-04	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 16-18% PEG3350, 0.12-0.14 M CaOAc, 0.1 M Tris/HCl at pH 8.0, Additives: 2 mM reduced and oxidised Glutathione	Resolution 3.10 Å R-free 0.259
7SG2 XPA5 TCR in complex with HLA-DQ2-omega1 Deposited 2021-10-04	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain F 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 2 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 16-18% PEG3350, 0.12-0.14 M CaOAc, 0.1 M Tris/HCl at pH 8.0, Additives: 2 mM reduced and oxidised Glutathione	Resolution 3.10 Å R-free 0.259
8VSP Cryo-EM structure of human invariant chain in complex with HLA-DQ Deposited 2024-01-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 9 PDB declaration: nonameric	Chain A 1–254（254 aa） Chain D 1–254（254 aa） Chain G 1–254（254 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.12 Å
8W83 HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 24–206（183 aa）	Mutation：C47S	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M HEPES (pH7.5), 25.0 %w/v Polyethylene glycol 1,000, and 20 %v/v Glycerol as cryoprotectant	Resolution 2.82 Å R-free 0.321
8W83 HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain G 24–206（183 aa）	Mutation：C47S	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M HEPES (pH7.5), 25.0 %w/v Polyethylene glycol 1,000, and 20 %v/v Glycerol as cryoprotectant	Resolution 2.82 Å R-free 0.321
8W83 HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain K 24–206（183 aa）	Mutation：C47S	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M HEPES (pH7.5), 25.0 %w/v Polyethylene glycol 1,000, and 20 %v/v Glycerol as cryoprotectant	Resolution 2.82 Å R-free 0.321
8W83 HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain O 24–206（183 aa）	Mutation：C47S	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M HEPES (pH7.5), 25.0 %w/v Polyethylene glycol 1,000, and 20 %v/v Glycerol as cryoprotectant	Resolution 2.82 Å R-free 0.321
8W84 HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 24–206（183 aa）	Mutation：C47S	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；80 mM di-Sodium malonate (pH4.0), 9.6 %w/v Polyethylene glycol 3,350, and 25 %v/v Ethylene glycol as cryoprotectant	Resolution 2.10 Å R-free 0.325
8W85 HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 24–206（183 aa）	Mutation：C47S	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.1 M Ammonium sulfate, 10.0 %w/v Polyethylene glycol 3,350, and 30 %v/v Ethylene glycol as cryoprotectant	Resolution 2.77 Å R-free 0.300
8W85 HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain G 24–206（183 aa）	Mutation：C47S	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.1 M Ammonium sulfate, 10.0 %w/v Polyethylene glycol 3,350, and 30 %v/v Ethylene glycol as cryoprotectant	Resolution 2.77 Å R-free 0.300
9EJG Peptide-independent T cell receptor recognition of HLA-DQ2 Deposited 2024-11-27	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 FMT FORMIC ACID × 5 GOL GLYCEROL × 2 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；8% Tacsimate, pH 8.0, 20-24% w/v PEG3350	Resolution 2.20 Å R-free 0.225
9EJH Peptide-independent T cell receptor recognition of HLA-DQ2 Deposited 2024-11-27	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 24–206（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 4 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；8% Tacsimate, pH 8.0, 20-24% w/v PEG3350	Resolution 2.45 Å R-free 0.232

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

View Construct and Data Evidence

UniProt name	DQA1_HUMAN
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain C； PDBConstruct 1–183； UniProt 24–206 Author chain G； PDBConstruct 1–183； UniProt 24–206

MHC class II HLA-DQ-beta-1 - B/C hordein peptide chimeric protein

Homo sapiens

UniProt O19712

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 D； UniProt 1–190	Not recorded	DQN0385AE02 Fab heavy chain × 1 DQN0385AE02 Fab light chain × 1 HLA class II histocompatibility antigen, DQ alpha 1 chain × 1 （P01909） NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5.5；294 K；0.1 M MES monohydrate (pH5.5), 12.0 %w/v Polyethylene glycol 8,000, 0.1 M Calcium acetate hydrate, and 30 %v/v Ethylene glycol as cryoprotectant	Resolution 2.24 Å R-free 0.280
2	Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain H； UniProt 1–190	Not recorded	DQN0385AE02 Fab heavy chain × 1 DQN0385AE02 Fab light chain × 1 HLA class II histocompatibility antigen, DQ alpha 1 chain × 1 （P01909） NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 5.5；294 K；0.1 M MES monohydrate (pH5.5), 12.0 %w/v Polyethylene glycol 8,000, 0.1 M Calcium acetate hydrate, and 30 %v/v Ethylene glycol as cryoprotectant	Resolution 2.24 Å R-free 0.280

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 8W86	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
5KSU Crystal structure of HLA-DQ2.5-CLIP1 at 2.73 resolution Deposited 2016-07-10	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 1–198（198 aa） Fragment：UNP residues 1-198	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；PEG 8000, ammonium sulphate, sodium cacodylate, glycerol	Resolution 2.73 Å R-free 0.249
5KSU Crystal structure of HLA-DQ2.5-CLIP1 at 2.73 resolution Deposited 2016-07-10	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 E 1–198（198 aa） Fragment：UNP residues 1-198	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；PEG 8000, ammonium sulphate, sodium cacodylate, glycerol	Resolution 2.73 Å R-free 0.249
5KSV Crystal structure of HLA-DQ2.5-CLIP2 Deposited 2016-07-10	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 1–198（198 aa） Fragment：UNP residues 1-198	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M BIS-TRIS, pH 5.5, 22% PEG 3350	Resolution 2.19 Å R-free 0.210
6MFF HLA-DQ2-glia-omega1 Deposited 2018-09-10	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 C 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；23% PEG3350 and 0.1 M NaH2PO4, pH 6	Resolution 2.60 Å R-free 0.250
6MFG HLA-DQ2-glia-alpha1 Deposited 2018-09-10	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain E 1–192（192 aa） Chain F 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；23% PEG3350 and 0.1 M NaH2PO4, pH 6	Resolution 2.00 Å R-free 0.222
6U3M DQ2-P.fluor-alpha1a Deposited 2019-08-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 3 PDB declaration: trimeric	Chain D 1–192（192 aa）	Not recorded	GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG3350 and 0.15M NH4H2PO4	Resolution 1.90 Å R-free 0.220
6U3M DQ2-P.fluor-alpha1a Deposited 2019-08-22	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 B 1–192（192 aa）	Not recorded	GOL GLYCEROL × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；18% PEG3350 and 0.15M NH4H2PO4	Resolution 1.90 Å R-free 0.220
6U3N LS2.8/3.15 - DQ2-P.fluor-alpha1a complex Deposited 2019-08-22	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain B 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；22% PEG3350, 0.2M Na-K Tartrate, 0.1M MES pH6.5	Resolution 2.80 Å
6U3O JR51 DQ2-p.aeru-alpha2a complex Deposited 2019-08-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric	Chain F 1–192（192 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；23%PEG3350, 0.01mM Na-Acetate, 0.1 M Tris pH8.0	Resolution 2.74 Å
6U3O JR51 DQ2-p.aeru-alpha2a complex Deposited 2019-08-22	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Heteromer；Protein × 5 PDB declaration: pentameric	Chain D 1–192（192 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；23%PEG3350, 0.01mM Na-Acetate, 0.1 M Tris pH8.0	Resolution 2.74 Å
6XP6 3C11-DQ2-glia-a2 complex Deposited 2020-07-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: pentameric	Chain B 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 IPA ISOPROPYL ALCOHOL × 7 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；10% PEG 4000 20% 2-propanol 0.1M HEPES	Resolution 2.40 Å R-free 0.212
6XP6 3C11-DQ2-glia-a2 complex Deposited 2020-07-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Heteromer；Protein × 5 PDB declaration: pentameric	Chain E 1–192（192 aa）	Not recorded	IPA ISOPROPYL ALCOHOL × 5 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；10% PEG 4000 20% 2-propanol 0.1M HEPES	Resolution 2.40 Å R-free 0.212
7SG0 W316 TCR in complex with HLA-DQ2-omega1 Deposited 2021-10-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain B 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；24% PEG3350, 0.25 M (NH4)2SO4 and 0.1 M Tris/HCl at pH 8.0	Resolution 3.00 Å R-free 0.230
7SG1 XPA5 TCR in complex with HLA-DQ2-alpha1 Deposited 2021-10-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain B 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 1 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 16-18% PEG3350, 0.12-0.14 M CaOAc, 0.1 M Tris/HCl at pH 8.0, Additives: 2 mM reduced and oxidised Glutathione	Resolution 3.10 Å R-free 0.258
7SG1 XPA5 TCR in complex with HLA-DQ2-alpha1 Deposited 2021-10-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain G 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 16-18% PEG3350, 0.12-0.14 M CaOAc, 0.1 M Tris/HCl at pH 8.0, Additives: 2 mM reduced and oxidised Glutathione	Resolution 3.10 Å R-free 0.258
7SG2 XPA5 TCR in complex with HLA-DQ2-omega1 Deposited 2021-10-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain B 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 1 ACT ACETATE ION × 1 CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 16-18% PEG3350, 0.12-0.14 M CaOAc, 0.1 M Tris/HCl at pH 8.0, Additives: 2 mM reduced and oxidised Glutathione	Resolution 3.10 Å R-free 0.259
7SG2 XPA5 TCR in complex with HLA-DQ2-omega1 Deposited 2021-10-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain G 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 2 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；Mother liquor: 16-18% PEG3350, 0.12-0.14 M CaOAc, 0.1 M Tris/HCl at pH 8.0, Additives: 2 mM reduced and oxidised Glutathione	Resolution 3.10 Å R-free 0.259
8W83 HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain D 1–190（190 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M HEPES (pH7.5), 25.0 %w/v Polyethylene glycol 1,000, and 20 %v/v Glycerol as cryoprotectant	Resolution 2.82 Å R-free 0.321
8W83 HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain H 1–190（190 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M HEPES (pH7.5), 25.0 %w/v Polyethylene glycol 1,000, and 20 %v/v Glycerol as cryoprotectant	Resolution 2.82 Å R-free 0.321
8W83 HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain L 1–190（190 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M HEPES (pH7.5), 25.0 %w/v Polyethylene glycol 1,000, and 20 %v/v Glycerol as cryoprotectant	Resolution 2.82 Å R-free 0.321
8W83 HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain P 1–190（190 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；294 K；0.1 M HEPES (pH7.5), 25.0 %w/v Polyethylene glycol 1,000, and 20 %v/v Glycerol as cryoprotectant	Resolution 2.82 Å R-free 0.321
8W84 HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02 Deposited 2023-08-31	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain D 1–190（190 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4；293 K；80 mM di-Sodium malonate (pH4.0), 9.6 %w/v Polyethylene glycol 3,350, and 25 %v/v Ethylene glycol as cryoprotectant	Resolution 2.10 Å R-free 0.325
8W85 HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain D 1–190（190 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.1 M Ammonium sulfate, 10.0 %w/v Polyethylene glycol 3,350, and 30 %v/v Ethylene glycol as cryoprotectant	Resolution 2.77 Å R-free 0.300
8W85 HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01 Deposited 2023-08-31	Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain H 1–190（190 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；0.1 M Ammonium sulfate, 10.0 %w/v Polyethylene glycol 3,350, and 30 %v/v Ethylene glycol as cryoprotectant	Resolution 2.77 Å R-free 0.300
9EJG Peptide-independent T cell receptor recognition of HLA-DQ2 Deposited 2024-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain B 1–194（194 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 FMT FORMIC ACID × 5 GOL GLYCEROL × 2 ACT ACETATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；8% Tacsimate, pH 8.0, 20-24% w/v PEG3350	Resolution 2.20 Å R-free 0.225
9EJH Peptide-independent T cell receptor recognition of HLA-DQ2 Deposited 2024-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain B 1–192（192 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACT ACETATE ION × 4 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；8% Tacsimate, pH 8.0, 20-24% w/v PEG3350	Resolution 2.45 Å R-free 0.232

16 other PDB entries and 26 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	O19712_HUMAN
Isoform	—
PDB entities	4
Chains and sequence ranges	Author chain D； PDBConstruct 35–224； UniProt 1–190 Author chain H； PDBConstruct 35–224； UniProt 1–190

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	8w86
Deposition date deposition_date	2023-08-31
Structure title title	HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02
Keywords keywords	IMMUNE SYSTEM, CELIAC DISEASE, ANTIBODY; IMMUNE SYSTEM
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	44.37 Å
Radius of gyration Rg (electron density) rg_electron	44.93 Å
Forward intensity I(0) i0	352538000.00
Molecular weight molecular_weight	153350.0 kDa
Excluded volume excluded_volume	191590 Å³
Envelope volume envelope_volume	260660 Å³
Hydration-shell volume shell_volume	53586 Å³
Envelope diameter envelope_diameter	172.4 Å
Shell Rg shell_rg	43.72 Å
Envelope Rg envelope_rg	44.97 Å
Shape Rg shape_rg	44.90 Å
Total Rg total_rg	44.95 Å
Total atoms total_atoms	10836
Residues n_residues	1395
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	164.0 Å
Rg (real space) rg_real	45.02 Å
Rg uncertainty (real space) rg_real_error	2.15 Å
I(0) (real space) i0_real	3.5250e+08
I(0) uncertainty (real space) i0_real_error	7.4910e+06
Rg (reciprocal space) rg_reciprocal	44.37 Å
I(0) (reciprocal space) i0_reciprocal	352300000.0000
Solution quality estimate total_estimate	0.5464
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	41.0 Å
Skewness Skewness skewness	0.730
Kurtosis Kurtosis kurtosis	0.153
Angular range angular_range	— – 0.1800 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	34780000.0000
Real-space data points n_real_points	37
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.576; Stabil: 1.000; Sysdev: 0.005; Positv: 1.000; Valcen: 0.659; Smooth: 0.697

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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	DQN0385AE02 Fab heavy chain
Molecular weight formula_weight	23846.6 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,E
Atom count atom_count	11188

QVQLVESGGGVVQPGRSLRLSCAASGFTFSEWYFMSWVRQAPGKGLEWVASIDTGSGSIDYAGWVEGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARDIGIDYNFWGEGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVEDYFPEPVTVSWNSGALTSGVHTFPAVLESSGLYSLSSVVTVPSSSLGTKTYICNVNHKPSNTKVDKRVEPKSCDK

来源 Source

来源生物 organism	Homo sapiens
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Homo sapiens

Entity 2 Entity 2 polymer

Description description	DQN0385AE02 Fab light chain
Molecular weight formula_weight	23397.1 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,F

DIQMTQSPSSLSASVGDRVTITCQTTQEISSYLNWYQQKPGQPPKLLIYYASTKAEGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHYGISKVSFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTAKVVCLLNNFYPREAKVQWKVDNALQSGNSKESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

来源 Source

来源生物 organism	Homo sapiens
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Homo sapiens

Entity 3 Entity 3 polymer

Description description	HLA class II histocompatibility antigen, DQ alpha 1 chain
Molecular weight formula_weight	21396.9 kDa
Mutation mutation	C47S
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

EDIVADHVASYGVNLYQSYGPSGQYTHEFDGDEQFYVDLGRKETVWSLPVLRQFRFDPQFALTNIAVLKHNLNSLIKRSNSTAATNEVPEVTVFSKSPVTLGQPNILICLVDNIFPPVVNITWLSNGHSVTEGVSETSFLSKSDHSFFKISYLTLLPSAEESYDCKVEHWGLDKPLLKHWEPELEVLFQ

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	Homo sapiens

Entity 4 Entity 4 polymer

Description description	MHC class II HLA-DQ-beta-1 - B/C hordein peptide chimeric protein
Molecular weight formula_weight	26299.4 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

EPEQPIPEQPQPYPQQPGSGGGGSIEGRGSGGGSRDSPEDFVYQFKGMCYFTNGTERVRLVSRSIYNREEIVRFDSDVGEFRAVTLLGLPAAEYWNSQKDILERKRAAVDRVCRHNYQLELRTTLQRRVEPTVTISPSRTEALNHHNLLVCSVTDFYPAQIKVRWFRNDQEETAGVVSTPLIRNGDWTFQILVMLEMTPQRGDVYTCHVEHPSLQSPITVEWRALEVLFQ

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	Homo sapiens

Entity 5 Entity 5 non-polymer

Description description	2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	221.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	352

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8. Citations (1)

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Unit-cell length a length_a	73.701 Å
Unit-cell length b length_b	127.187 Å
Unit-cell length c length_c	130.365 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	104.45 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

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

Resolution resolution	2.236 Å
Low-resolution limit resolution_low	126.220 Å
R factor r_factor	0.2430
R_work r_work	0.2410
R_free r_free	0.2804

fit	/app/data/saxs_computation/w8/8w86/8w86.fit
pddf	/app/data/pr_computation/w8/8w86/8w86.pr.out
profile	/app/data/saxs_computation/w8/8w86/8w86.dat

HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02

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

HLA class II histocompatibility antigen, DQ alpha 1 chain

State in the Current Structure

Other States of the Same Protein in the Database

MHC class II HLA-DQ-beta-1 - B/C hordein peptide chimeric protein

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

来源 Source

Entity 4 Entity 4 polymer

Polymer Polymer

来源 Source

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)