7z50

Structure of the highly diabetogenic 4.1-T cell receptor targeting a hybrid insulin peptide bound to I-Ag7.

Method: X-RAY DIFFRACTION D_max: 152.2 Å Quality: GOOD

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

H-2 class II histocompatibility antigen, A-D alpha chain

Mus musculus

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 × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain A； UniProt 24–218	Mutation：I91C	H2-Ab1 protein × 1 （Q31135） 4.1 TCR beta chain × 1 4.1 TCR alpha chain × 1 Hybrid insulin peptide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M MgCl2, 0.1 M Na HEPES pH 7.0, 15% w/v PEG 4000	Resolution 2.65 Å R-free 0.261
2	Protein heterocomplex Heteromer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain C； UniProt 24–218	Mutation：I91C	H2-Ab1 protein × 1 （Q31135） 4.1 TCR beta chain × 1 4.1 TCR alpha chain × 1 Hybrid insulin peptide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M MgCl2, 0.1 M Na HEPES pH 7.0, 15% w/v PEG 4000	Resolution 2.65 Å R-free 0.261

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 7Z50	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1ES0 CRYSTAL STRUCTURE OF THE MURINE CLASS II ALLELE I-A(G7) COMPLEXED WITH THE GLUTAMIC ACID DECARBOXYLASE (GAD65) PEPTIDE 207-220 Deposited 2000-04-07	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 A 24–205（182 aa） Fragment：ALPHA CHAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；16-18% PEG 4000, 0.2 M LICL (PH 6.6), 1% MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.60 Å R-free 0.258
1F3J HISTOCOMPATIBILITY ANTIGEN I-AG7 Deposited 2000-06-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 27–208（182 aa） Fragment：A-D ALPHA CHAIN Chain D 27–208（182 aa） Fragment：A-D ALPHA CHAIN	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.4；pH 4.4	Resolution 3.10 Å R-free 0.299
1IAO CLASS II MHC I-AD IN COMPLEX WITH OVALBUMIN PEPTIDE 323-339 Deposited 1998-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 24–209（186 aa） Chain B 28–216（189 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；32% PEG 600, 0.1 IMIDAZOLE MALATE, PH 5.5	Resolution 2.60 Å R-free 0.320
1IAO CLASS II MHC I-AD IN COMPLEX WITH OVALBUMIN PEPTIDE 323-339 Deposited 1998-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 24–209（186 aa） Chain B 28–216（189 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；32% PEG 600, 0.1 IMIDAZOLE MALATE, PH 5.5	Resolution 2.60 Å R-free 0.320
2IAD CLASS II MHC I-AD IN COMPLEX WITH AN INFLUENZA HEMAGGLUTININ PEPTIDE 126-138 Deposited 1998-03-13	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 24–209（186 aa） Fragment：RESIDUES 126P - 138P OF CHAIN B ARE COVALENTLY LINKED INFLUENZA HEMAGGLUTININ PEPTIDE	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；19% PEG 8000 0.2 M TRIS, PH 7.4	Resolution 2.40 Å R-free 0.308
2IAD CLASS II MHC I-AD IN COMPLEX WITH AN INFLUENZA HEMAGGLUTININ PEPTIDE 126-138 Deposited 1998-03-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 24–209（186 aa） Fragment：RESIDUES 126P - 138P OF CHAIN B ARE COVALENTLY LINKED INFLUENZA HEMAGGLUTININ PEPTIDE	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；19% PEG 8000 0.2 M TRIS, PH 7.4	Resolution 2.40 Å R-free 0.308
3CUP Crystal structure of the MHC class II molecule I-Ag7 in complex with the peptide GAD221-235 Deposited 2008-04-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 24–205（182 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；295 K；0.1M Hepes pH 7.5, 28% PEG 8000, 2% Jeffamine 900, VAPOR DIFFUSION, SITTING DROP, temperature 295K, pH 7.50	Resolution 3.09 Å R-free 0.286
3MBE TCR 21.30 in complex with MHC class II I-Ag7HEL(11-27) Deposited 2010-03-25	Different construct 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 24–205（182 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；20% PEG4000, 0.2M K formate, 0.1M Na Cacodylate., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.89 Å R-free 0.281
3MBE TCR 21.30 in complex with MHC class II I-Ag7HEL(11-27) Deposited 2010-03-25	Different construct 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 E 24–205（182 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；20% PEG4000, 0.2M K formate, 0.1M Na Cacodylate., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.89 Å R-free 0.281
5DMK Crystal Structure of IAg7 in complex with RLGL-WE14 Deposited 2015-09-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 26–198（173 aa）	Not recorded	FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1M Ammonium Citrate	Resolution 2.45 Å R-free 0.260
5DMK Crystal Structure of IAg7 in complex with RLGL-WE14 Deposited 2015-09-08	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 C 26–198（173 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1M Ammonium Citrate	Resolution 2.45 Å R-free 0.260
5DMK Crystal Structure of IAg7 in complex with RLGL-WE14 Deposited 2015-09-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 26–198（173 aa）	Not recorded	FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1M Ammonium Citrate	Resolution 2.45 Å R-free 0.260
5DMK Crystal Structure of IAg7 in complex with RLGL-WE14 Deposited 2015-09-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 26–198（173 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1M Ammonium Citrate	Resolution 2.45 Å R-free 0.260
6BLQ Crystal Structure of IAg7 in complex with insulin mimotope p8E9E Deposited 2017-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 24–208（185 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 IPA ISOPROPYL ALCOHOL × 4 EDO 1,2-ETHANEDIOL × 7	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20% PEG3350, 100mM sodium citrate at pH5.0, 5% isopropanol	Resolution 1.80 Å R-free 0.203
6BLR Crystal Structure of IAg7 in complex with insulin mimotope p8E9E6SS Deposited 2017-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 26–208（183 aa）	Mutation：N64C	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；15% PEG4000, 10mM sodium citrate at pH5.0, 100 mM MgCl2	Resolution 1.96 Å R-free 0.228
6BLX Crystal structure of IAg7 in complex with insulin mimotope p8G9E Deposited 2017-11-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 26–208（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 4 FMT FORMIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；18% PEG20000, 100mM sodium citrate at pH5.0	Resolution 2.32 Å R-free 0.220
6DFS mouse TCR I.29 in complex with IAg7-p8E9E6ss Deposited 2018-05-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 26–208（183 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；12% PEG 20000, 100mM bicine pH9.0, 20% ethylene glycol	Resolution 3.10 Å R-free 0.285
6DFW TCR 8F10 in complex with IAg7-p8G9E Deposited 2018-05-15	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 26–208（183 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；11% PEG 3350, 100mM formate pH7.0	Resolution 3.20 Å R-free 0.297
6DFW TCR 8F10 in complex with IAg7-p8G9E Deposited 2018-05-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 26–208（183 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；11% PEG 3350, 100mM formate pH7.0	Resolution 3.20 Å R-free 0.297
7QHP Structure of I-Ag7 with a bound hybrid insulin peptide Deposited 2021-12-13	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 24–218（195 aa）	Mutation：I91C	GOL GLYCEROL × 2 SO4 SULFATE ION × 1 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.17 M ammonium sulfate, 25% w/v PEG 4000, 15% glycerol	Resolution 1.82 Å R-free 0.219
7RDV TFH TCR bound to MHC Class II IAd presenting aggrecan epitope Deposited 2021-07-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 28–205（178 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293.15 K；0.1M Sodium Cacodylate pH6.0 15% w/v PEG4000	Resolution 2.90 Å R-free 0.265

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

View Construct and Data Evidence

UniProt name	HA2D_MOUSE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–195； UniProt 24–218 Author chain C； PDBConstruct 1–195； UniProt 24–218

H2-Ab1 protein

Mus musculus

UniProt Q31135

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 × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain B； UniProt 28–224	Not recorded	H-2 class II histocompatibility antigen, A-D alpha chain × 1 （P04228） 4.1 TCR beta chain × 1 4.1 TCR alpha chain × 1 Hybrid insulin peptide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M MgCl2, 0.1 M Na HEPES pH 7.0, 15% w/v PEG 4000	Resolution 2.65 Å R-free 0.261
2	Protein heterocomplex Heteromer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count	Chain D； UniProt 28–224	Not recorded	H-2 class II histocompatibility antigen, A-D alpha chain × 1 （P04228） 4.1 TCR beta chain × 1 4.1 TCR alpha chain × 1 Hybrid insulin peptide × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 EDO 1,2-ETHANEDIOL × 3 NA SODIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1 M MgCl2, 0.1 M Na HEPES pH 7.0, 15% w/v PEG 4000	Resolution 2.65 Å R-free 0.261

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 7Z50	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1F3J HISTOCOMPATIBILITY ANTIGEN I-AG7 Deposited 2000-06-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain B 31–217（187 aa） Fragment：BETA CHAIN Chain E 31–217（187 aa） Fragment：BETA CHAIN	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.4；pH 4.4	Resolution 3.10 Å R-free 0.299
3CUP Crystal structure of the MHC class II molecule I-Ag7 in complex with the peptide GAD221-235 Deposited 2008-04-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 28–214（187 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；295 K；0.1M Hepes pH 7.5, 28% PEG 8000, 2% Jeffamine 900, VAPOR DIFFUSION, SITTING DROP, temperature 295K, pH 7.50	Resolution 3.09 Å R-free 0.286
3MBE TCR 21.30 in complex with MHC class II I-Ag7HEL(11-27) Deposited 2010-03-25	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 28–214（187 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；20% PEG4000, 0.2M K formate, 0.1M Na Cacodylate., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.89 Å R-free 0.281
3MBE TCR 21.30 in complex with MHC class II I-Ag7HEL(11-27) Deposited 2010-03-25	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 F 28–214（187 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；20% PEG4000, 0.2M K formate, 0.1M Na Cacodylate., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.89 Å R-free 0.281
5DMK Crystal Structure of IAg7 in complex with RLGL-WE14 Deposited 2015-09-08	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 31–215（185 aa） Fragment：UNP residues 31-215	Not recorded	FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1M Ammonium Citrate	Resolution 2.45 Å R-free 0.260
5DMK Crystal Structure of IAg7 in complex with RLGL-WE14 Deposited 2015-09-08	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 D 31–215（185 aa） Fragment：UNP residues 31-215	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1M Ammonium Citrate	Resolution 2.45 Å R-free 0.260
5DMK Crystal Structure of IAg7 in complex with RLGL-WE14 Deposited 2015-09-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 31–215（185 aa） Fragment：UNP residues 31-215	Not recorded	FLC CITRATE ANION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1M Ammonium Citrate	Resolution 2.45 Å R-free 0.260
5DMK Crystal Structure of IAg7 in complex with RLGL-WE14 Deposited 2015-09-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 31–215（185 aa） Fragment：UNP residues 31-215	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1M Ammonium Citrate	Resolution 2.45 Å R-free 0.260
6BLQ Crystal Structure of IAg7 in complex with insulin mimotope p8E9E Deposited 2017-11-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 30–217（188 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 IPA ISOPROPYL ALCOHOL × 4 EDO 1,2-ETHANEDIOL × 7	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；20% PEG3350, 100mM sodium citrate at pH5.0, 5% isopropanol	Resolution 1.80 Å R-free 0.203
6BLR Crystal Structure of IAg7 in complex with insulin mimotope p8E9E6SS Deposited 2017-11-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 30–217（188 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；15% PEG4000, 10mM sodium citrate at pH5.0, 100 mM MgCl2	Resolution 1.96 Å R-free 0.228
6BLX Crystal structure of IAg7 in complex with insulin mimotope p8G9E Deposited 2017-11-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 30–217（188 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 EDO 1,2-ETHANEDIOL × 4 FMT FORMIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；278 K；18% PEG20000, 100mM sodium citrate at pH5.0	Resolution 2.32 Å R-free 0.220
6DFS mouse TCR I.29 in complex with IAg7-p8E9E6ss Deposited 2018-05-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain D 30–217（188 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；12% PEG 20000, 100mM bicine pH9.0, 20% ethylene glycol	Resolution 3.10 Å R-free 0.285
6DFW TCR 8F10 in complex with IAg7-p8G9E Deposited 2018-05-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 30–217（188 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；11% PEG 3350, 100mM formate pH7.0	Resolution 3.20 Å R-free 0.297
6DFW TCR 8F10 in complex with IAg7-p8G9E Deposited 2018-05-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain D 30–217（188 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；11% PEG 3350, 100mM formate pH7.0	Resolution 3.20 Å R-free 0.297

9 other PDB entries and 14 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	Q31135_MOUSE
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 27–223； UniProt 28–224 Author chain D； PDBConstruct 27–223； UniProt 28–224

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	7z50
Deposition date deposition_date	2022-03-06
Structure title title	Structure of the highly diabetogenic 4.1-T cell receptor targeting a hybrid insulin peptide bound to I-Ag7.
Keywords keywords	Diabetes, T cell receptor, murine MHC class II, hybrid insulin peptide, IMMUNE SYSTEM; 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	44.38 Å
Radius of gyration Rg (electron density) rg_electron	44.00 Å
Forward intensity I(0) i0	470202000.00
Molecular weight molecular_weight	175270.0 kDa
Excluded volume excluded_volume	217700 Å³
Envelope volume envelope_volume	303900 Å³
Hydration-shell volume shell_volume	58836 Å³
Envelope diameter envelope_diameter	151.2 Å
Shell Rg shell_rg	47.37 Å
Envelope Rg envelope_rg	43.58 Å
Shape Rg shape_rg	43.98 Å
Total Rg total_rg	44.22 Å
Total atoms total_atoms	12383
Residues n_residues	1595
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	152.2 Å
Rg (real space) rg_real	44.46 Å
Rg uncertainty (real space) rg_real_error	1.35 Å
I(0) (real space) i0_real	4.7020e+08
I(0) uncertainty (real space) i0_real_error	9.0280e+06
Rg (reciprocal space) rg_reciprocal	44.38 Å
I(0) (reciprocal space) i0_reciprocal	470200000.0000
Solution quality estimate total_estimate	0.8777
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	50.7 Å
Skewness Skewness skewness	0.341
Kurtosis Kurtosis kurtosis	-0.426
Angular range angular_range	— – 0.1800 Å⁻¹
Current regularization parameter α current_alpha	0.0001
Highest regularization parameter α highest_alpha	32590000.0000
Real-space data points n_real_points	37
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.875; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.962; Smooth: 0.818

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (10)

Entity 1 Entity 1 polymer

Description description	H-2 class II histocompatibility antigen, A-D alpha chain
Molecular weight formula_weight	23027.7 kDa
Mutation mutation	I91C
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C
Atom count atom_count	12716

EDDIEADHVGFYGTTVYQSPGDIGQYTHEFDGDELFYVDLDKKKTVWRLPEFGQLILFEPQGGLQNIAAEKHNLGCLTKRSNFTPATNEAPQATVFPKSPVLLGQPNTLICFVDNIFPPVINITWLRNSKSVTDGVYETSFLVNRDHSFHKLSYLTFIPSDDDIYDCKVEHWGLEEPVLKHWEPEIPAPMSELTESLEVLFQ

来源 Source

来源生物 organism	Mus musculus
通用名 common_name	house mouse
NCBI Class编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	Cricetulus griseus

Entity 2 Entity 2 polymer

Description description	H2-Ab1 protein
Molecular weight formula_weight	26263.1 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

LQTLALEVEDDPCGGGGGSGGGSGGSGDSERHFVHQFKGECYFTNGTQRIRLVTRYIYNREEYLRFDSDVGEYRAVTELGRHSAEYYNKQYLERTRAELDTACRHNYEETEVPTSLRRLEQPNVAISLSRTEALNHHNTLVCSVTDFYPAKIKVRWFRNGQEETVGVSSTQLIRNGDWTFQVLVMLEMTPHQGEVYTCHVEHPSLKSPITVEWRAQSESARSKSLEVLFQ

来源 Source

来源生物 organism	Mus musculus
通用名 common_name	house mouse
NCBI Class编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	Cricetulus griseus

Entity 3 Entity 3 polymer

Description description	4.1 TCR beta chain
Molecular weight formula_weight	27323.5 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

MGVIQTPRHKVTGKGQEATLWCEPISGHSAVFWYRQTIVQGLEFLTYFRNQAPIDDSGMPKERFSAQMPNQSHSTLKIQSTQPQDSAVYLCASSRQGQNTLYFGAGTRLSVLEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRAD

来源 Source

来源生物 organism	Mus musculus
NCBI Class编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	Escherichia coli

Entity 4 Entity 4 polymer

Description description	4.1 TCR alpha chain
Molecular weight formula_weight	23178.8 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

MGEQVEQLPSILRVQEGSSASINCSYEDSASNYFPWYKQEPGENPKLIIDIRSNMERKQTQGLIVLLDKKAKRFSLHITDTQPGDSAMYFCAASVRNYKYVFGAGTRLKVIADIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESSA

来源 Source

来源生物 organism	Mus musculus
NCBI Class编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	Escherichia coli

Entity 5 Entity 5 polymer

Description description	Hybrid insulin peptide
Molecular weight formula_weight	1559.7 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	T,W

LQTLALEVEDDPCGG

来源 Source

来源生物 organism	Mus musculus
NCBI Class编号 ncbi_taxonomy_id	10090
宿主生物 host_organism	Cricetulus griseus

Entity 6 Entity 6 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	5

Entity 7 Entity 7 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	6

Entity 8 Entity 8 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 9 Entity 9 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 10 Entity 10 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	333

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	7z50G01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

Domain ID domain_id	7z50H01
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	10 — Immunoglobulins

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8. Citations (1)

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Unit-cell length a length_a	213.615 Å
Unit-cell length b length_b	133.457 Å
Unit-cell length c length_c	102.560 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	103.69 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

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

Resolution resolution	2.650 Å
Low-resolution limit resolution_low	49.820 Å
R factor r_factor	0.2232
R_work r_work	0.2212
R_free r_free	0.2611

fit	/app/data/saxs_computation/z5/7z50/7z50.fit
pddf	/app/data/pr_computation/z5/7z50/7z50.pr.out
profile	/app/data/saxs_computation/z5/7z50/7z50.dat

Structure of the highly diabetogenic 4.1-T cell receptor targeting a hybrid insulin peptide bound to I-Ag7.

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

H-2 class II histocompatibility antigen, A-D alpha chain

State in the Current Structure

Other States of the Same Protein in the Database

H2-Ab1 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 (10)

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 polymer

Polymer Polymer

来源 Source

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 water

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)