8trr

T cell recognition of citrullinated vimentin peptide presented by HLA-DR4

Method: X-RAY DIFFRACTION Dmax: 214.2 Å Quality: REASONABLE

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

HLA class II histocompatibility antigen, DR alpha chain

Homo sapiens

UniProt P01903

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 5 其他Polymer 2 PDB declaration: pentameric(5) Consistent with protein copy count Chain A; UniProt 26–206 Fragment:UNP residues 26-206 HLA class II histocompatibility antigen, DRB1 beta chain × 1 (P01911) Vimentin × 1 (P08670) A03 TCR alpha chain × 1 A03 TCR beta chain × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 7 SO4 SULFATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;20% w/v PEG8000, 0.1 M Tris, pH 8.5, 0.2 M ammonium sulfate Resolution 2.65 Å R-free 0.244
2 Other combination Heteromer Protein × 5 其他Polymer 1 PDB declaration: pentameric(5) Consistent with protein copy count Chain F; UniProt 26–206 Fragment:UNP residues 26-206 HLA class II histocompatibility antigen, DRB1 beta chain × 1 (P01911) Vimentin × 1 (P08670) A03 TCR alpha chain × 1 A03 TCR beta chain × 1 ;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 10 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;20% w/v PEG8000, 0.1 M Tris, pH 8.5, 0.2 M ammonium sulfate Resolution 2.65 Å R-free 0.244

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.

139 other PDB entries and 218 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DRA_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–181; UniProt 26–206 Author chain F; PDBConstruct 1–181; UniProt 26–206

HLA class II histocompatibility antigen, DRB1 beta chain

Homo sapiens

UniProt P01911

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 5 其他Polymer 2 PDB declaration: pentameric(5) Consistent with protein copy count Chain B; UniProt 30–219 Not recorded HLA class II histocompatibility antigen, DR alpha chain × 1 (P01903) Vimentin × 1 (P08670) A03 TCR alpha chain × 1 A03 TCR beta chain × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 7 SO4 SULFATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;20% w/v PEG8000, 0.1 M Tris, pH 8.5, 0.2 M ammonium sulfate Resolution 2.65 Å R-free 0.244
2 Other combination Heteromer Protein × 5 其他Polymer 1 PDB declaration: pentameric(5) Consistent with protein copy count Chain G; UniProt 30–219 Not recorded HLA class II histocompatibility antigen, DR alpha chain × 1 (P01903) Vimentin × 1 (P08670) A03 TCR alpha chain × 1 A03 TCR beta chain × 1 ;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 10 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;20% w/v PEG8000, 0.1 M Tris, pH 8.5, 0.2 M ammonium sulfate Resolution 2.65 Å R-free 0.244

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.

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

View Construct and Data Evidence
UniProt name DRB1_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–190; UniProt 30–219 Author chain G; PDBConstruct 1–190; UniProt 30–219

Vimentin

OrganismNot specified

UniProt P08670

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 5 其他Polymer 2 PDB declaration: pentameric(5) Consistent with protein copy count Chain C; UniProt 59–71 Fragment:UNP residues 59-71 with modified residue citrulline (CIR) at position 64 Non-standard monomer:Yes (specific site not provided by mmCIF) HLA class II histocompatibility antigen, DR alpha chain × 1 (P01903) HLA class II histocompatibility antigen, DRB1 beta chain × 1 (P01911) A03 TCR alpha chain × 1 A03 TCR beta chain × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 GOL GLYCEROL × 7 SO4 SULFATE ION × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;20% w/v PEG8000, 0.1 M Tris, pH 8.5, 0.2 M ammonium sulfate Resolution 2.65 Å R-free 0.244
2 Other combination Heteromer Protein × 5 其他Polymer 1 PDB declaration: pentameric(5) Consistent with protein copy count Chain H; UniProt 59–71 Fragment:UNP residues 59-71 with modified residue citrulline (CIR) at position 64 Non-standard monomer:Yes (specific site not provided by mmCIF) HLA class II histocompatibility antigen, DR alpha chain × 1 (P01903) HLA class II histocompatibility antigen, DRB1 beta chain × 1 (P01911) A03 TCR alpha chain × 1 A03 TCR beta chain × 1 ;2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 GOL GLYCEROL × 3 SO4 SULFATE ION × 10 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;20% w/v PEG8000, 0.1 M Tris, pH 8.5, 0.2 M ammonium sulfate Resolution 2.65 Å R-free 0.244

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.

22 other PDB entries and 27 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name VIME_HUMAN
Isoform
PDB entities 3
Chains and sequence ranges Author chain C; PDBConstruct 1–13; UniProt 59–71 Author chain H; PDBConstruct 1–13; UniProt 59–71

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

SAXS profile for 8trr

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8trr
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8trr
Deposition date deposition_date2023-08-10
Structure title titleT cell recognition of citrullinated vimentin peptide presented by HLA-DR4
Keywords keywordsimmune receptor complex, Immune system; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier59.47
Radius of gyration Rg (electron density) rg_electron61.94
Forward intensity I(0) i0521408000.00
Molecular weight molecular_weight183870.0 kDa
Excluded volume excluded_volume227460 ų
Envelope volume envelope_volume343770 ų
Hydration-shell volume shell_volume55778 ų
Envelope diameter envelope_diameter244.8
Shell Rg shell_rg47.04
Envelope Rg envelope_rg62.67
Shape Rg shape_rg61.92
Total Rg total_rg61.47
Total atoms total_atoms12956
Residues n_residues1605
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

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

Maximum dimension Dmax dmax214.2
Rg (real space) rg_real60.88
Rg uncertainty (real space) rg_real_error2.78
I(0) (real space) i0_real5.2120e+08
I(0) uncertainty (real space) i0_real_error1.2220e+07
Rg (reciprocal space) rg_reciprocal58.20
I(0) (reciprocal space) i0_reciprocal519100000.0000
Solution quality estimate total_estimate0.6848
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary41.2
Skewness Skewness skewness0.731
Kurtosis Kurtosis kurtosis-0.145
Angular range angular_range— – 0.1300 −1
Current regularization parameter α current_alpha0.0004
Highest regularization parameter α highest_alpha17750000.0000
Real-space data points n_real_points27
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.381; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.496; Smooth: 0.263

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (11)

8. Citations (1)

9. Files and Curves (10)