8s6m

SARS-CoV-2 BQ.1.1 RBD bound to the S2V29 and the S2H97 Fab fragments

Method: X-RAY DIFFRACTION Dmax: 146.1 Å Quality: GOOD

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

Spike protein S1

Severe acute respiratory syndrome coronavirus 2

UniProt P0DTC2

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 R; UniProt 328–531 Not recorded S2V29 Fab heavy chain × 1 S2H97 Fab heavy chain × 1 S2V29 Fab light chain × 1 S2H97 Fab light chain × 1 EDO 1,2-ETHANEDIOL × 9 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NI NICKEL (II) ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION;293 K;0.1 M Tris pH 8.5, 20% PEG-MME 2000, and 10 mM NiCl2 Resolution 1.67 Å R-free 0.203

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.

2152 other PDB entries and 2473 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SPIKE_SARS2
Isoform
PDB entities 2
Chains and sequence ranges Author chain R; PDBConstruct 20–223; UniProt 328–531

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 8s6m

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8s6m
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8s6m
Deposition date deposition_date2024-02-28
Structure title titleSARS-CoV-2 BQ.1.1 RBD bound to the S2V29 and the S2H97 Fab fragments
Keywords keywords;Sarbecoviruses, Spike glycoprotein, fusion protein, neutralizing antibodies, inhibitor, VIRAL PROTEIN, Structural Genomics, Seattle Structural Genomics Center for Infectious Disease, SSGCID ;; VIRAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier41.56
Radius of gyration Rg (electron density) rg_electron41.70
Forward intensity I(0) i0190964000.00
Molecular weight molecular_weight111490.0 kDa
Excluded volume excluded_volume138830 ų
Envelope volume envelope_volume189090 ų
Hydration-shell volume shell_volume40640 ų
Envelope diameter envelope_diameter151.4
Shell Rg shell_rg42.39
Envelope Rg envelope_rg42.30
Shape Rg shape_rg41.67
Total Rg total_rg41.85
Total atoms total_atoms7866
Residues n_residues1056
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 dmax146.1
Rg (real space) rg_real41.99
Rg uncertainty (real space) rg_real_error1.47
I(0) (real space) i0_real1.9100e+08
I(0) uncertainty (real space) i0_real_error3.5950e+06
Rg (reciprocal space) rg_reciprocal41.56
I(0) (reciprocal space) i0_reciprocal190900000.0000
Solution quality estimate total_estimate0.7941
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary34.6
Skewness Skewness skewness0.558
Kurtosis Kurtosis kurtosis-0.362
Angular range angular_range— – 0.1900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha16540000.0000
Real-space data points n_real_points39
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.657; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.715; Smooth: 0.634

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (10)

8. Citations (1)

9. Files and Curves (10)