2zsw

Crystal structure of H-2Kb in complex with the Q600Y variant of JHMV epitope S598

Method: X-RAY DIFFRACTION Dmax: 146.0 Å Quality: GOOD

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

H-2 class I histocompatibility antigen, K-B alpha chain

Mus musculus

UniProt P01901

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 22–299 Fragment:extracellular domain Beta-2-microglobulin × 1 (P01887) 8-mer peptide from spike glycoprotein × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;294 K;0.1M cacodylate, 13% PEG 8K, 0.2M Ca(OAc)2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K Resolution 2.80 Å R-free 0.253
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain E; UniProt 22–299 Fragment:extracellular domain Beta-2-microglobulin × 1 (P01887) 8-mer peptide from spike glycoprotein × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;294 K;0.1M cacodylate, 13% PEG 8K, 0.2M Ca(OAc)2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K Resolution 2.80 Å R-free 0.253
3 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain C; UniProt 22–299 Fragment:extracellular domain Beta-2-microglobulin × 1 (P01887) 8-mer peptide from spike glycoprotein × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;294 K;0.1M cacodylate, 13% PEG 8K, 0.2M Ca(OAc)2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K Resolution 2.80 Å R-free 0.253
4 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain G; UniProt 22–299 Fragment:extracellular domain Beta-2-microglobulin × 1 (P01887) 8-mer peptide from spike glycoprotein × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;294 K;0.1M cacodylate, 13% PEG 8K, 0.2M Ca(OAc)2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K Resolution 2.80 Å R-free 0.253

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.

83 other PDB entries and 137 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name HA1B_MOUSE
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–278; UniProt 22–299 Author chain C; PDBConstruct 1–278; UniProt 22–299 Author chain E; PDBConstruct 1–278; UniProt 22–299 Author chain G; PDBConstruct 1–278; UniProt 22–299

Beta-2-microglobulin

Mus musculus

UniProt P01887

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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain B; UniProt 21–119 Not recorded H-2 class I histocompatibility antigen, K-B alpha chain × 1 (P01901) 8-mer peptide from spike glycoprotein × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;294 K;0.1M cacodylate, 13% PEG 8K, 0.2M Ca(OAc)2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K Resolution 2.80 Å R-free 0.253
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain F; UniProt 21–119 Not recorded H-2 class I histocompatibility antigen, K-B alpha chain × 1 (P01901) 8-mer peptide from spike glycoprotein × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;294 K;0.1M cacodylate, 13% PEG 8K, 0.2M Ca(OAc)2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K Resolution 2.80 Å R-free 0.253
3 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain D; UniProt 21–119 Not recorded H-2 class I histocompatibility antigen, K-B alpha chain × 1 (P01901) 8-mer peptide from spike glycoprotein × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;294 K;0.1M cacodylate, 13% PEG 8K, 0.2M Ca(OAc)2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K Resolution 2.80 Å R-free 0.253
4 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain H; UniProt 21–119 Not recorded H-2 class I histocompatibility antigen, K-B alpha chain × 1 (P01901) 8-mer peptide from spike glycoprotein × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;294 K;0.1M cacodylate, 13% PEG 8K, 0.2M Ca(OAc)2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K Resolution 2.80 Å R-free 0.253

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.

290 other PDB entries and 480 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name B2MG_MOUSE
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–99; UniProt 21–119 Author chain D; PDBConstruct 1–99; UniProt 21–119 Author chain F; PDBConstruct 1–99; UniProt 21–119 Author chain H; PDBConstruct 1–99; UniProt 21–119

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 2zsw

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2zsw
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2zsw
Deposition date deposition_date2008-09-18
Structure title titleCrystal structure of H-2Kb in complex with the Q600Y variant of JHMV epitope S598
Keywords keywords;Ig Fold, protein-protein interactions, Immune System, subdominant epitope, Glycoprotein, Immune response, Membrane, MHC I, Transmembrane, Immunoglobulin domain, Secreted ;; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier46.58
Radius of gyration Rg (electron density) rg_electron46.40
Forward intensity I(0) i0448943000.00
Molecular weight molecular_weight172060.0 kDa
Excluded volume excluded_volume213910 ų
Envelope volume envelope_volume315720 ų
Hydration-shell volume shell_volume58683 ų
Envelope diameter envelope_diameter151.8
Shell Rg shell_rg47.46
Envelope Rg envelope_rg46.04
Shape Rg shape_rg46.37
Total Rg total_rg46.54
Total atoms total_atoms12156
Residues n_residues1528
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 dmax146.0
Rg (real space) rg_real46.43
Rg uncertainty (real space) rg_real_error1.05
I(0) (real space) i0_real4.4890e+08
I(0) uncertainty (real space) i0_real_error7.8580e+06
Rg (reciprocal space) rg_reciprocal46.57
I(0) (reciprocal space) i0_reciprocal449000000.0000
Solution quality estimate total_estimate0.8626
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary73.0
Skewness Skewness skewness0.097
Kurtosis Kurtosis kurtosis-0.572
Angular range angular_range— – 0.1700 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha49860000.0000
Real-space data points n_real_points35
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.870; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.602

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 16 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd2zswb_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
Domain ID domain_idd2zswd_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
Domain ID domain_idd2zswf_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
Domain ID domain_idd2zswh_
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)

CATH v4.4 (12 domains)

Domain ID domain_id2zswA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology500 — Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1
Homologous superfamily homologous superfamily10 — MHC class I-like antigen recognition-like
Domain ID domain_id2zswA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2zswB00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2zswC01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology500 — Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1
Homologous superfamily homologous superfamily10 — MHC class I-like antigen recognition-like
Domain ID domain_id2zswC02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2zswD00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2zswE01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology500 — Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1
Homologous superfamily homologous superfamily10 — MHC class I-like antigen recognition-like
Domain ID domain_id2zswE02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2zswF00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2zswG01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology500 — Murine Class I Major Histocompatibility Complex, H2-DB; Chain A, domain 1
Homologous superfamily homologous superfamily10 — MHC class I-like antigen recognition-like
Domain ID domain_id2zswG02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id2zswH00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)