8qzr

SARS-CoV-2 delta RBD complexed with BA.4/5-9 Fab

Method: X-RAY DIFFRACTION Dmax: 127.6 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 × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain C; UniProt 333–526 Not recorded BA.4/5-9 light chain × 1 BA.4/5-9 heavy chain × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M BIS-TRIS pH 6.5, 2% v/v Polyethylene glycol monomethyl ether 550, 1.8 M Ammonium sulfate Resolution 3.77 Å R-free 0.300
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain E; UniProt 333–526 Not recorded BA.4/5-9 light chain × 1 BA.4/5-9 heavy chain × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M BIS-TRIS pH 6.5, 2% v/v Polyethylene glycol monomethyl ether 550, 1.8 M Ammonium sulfate Resolution 3.77 Å R-free 0.300

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 2472 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SPIKE_SARS2
Isoform
PDB entities 3
Chains and sequence ranges Author chain C; PDBConstruct 7–200; UniProt 333–526 Author chain E; PDBConstruct 7–200; UniProt 333–526

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 8qzr

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8qzr
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id8qzr
Deposition date deposition_date2023-10-29
Structure title titleSARS-CoV-2 delta RBD complexed with BA.4/5-9 Fab
Keywords keywordsViral protein/immune system, SARS-CoV-2, RBD, BA.4/5 mAbs, BA.4/5-9 mAb, VIRAL PROTEIN; VIRAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier38.41
Radius of gyration Rg (electron density) rg_electron38.29
Forward intensity I(0) i0240769000.00
Molecular weight molecular_weight123480.0 kDa
Excluded volume excluded_volume153330 ų
Envelope volume envelope_volume210660 ų
Hydration-shell volume shell_volume47198 ų
Envelope diameter envelope_diameter128.2
Shell Rg shell_rg42.46
Envelope Rg envelope_rg38.77
Shape Rg shape_rg38.22
Total Rg total_rg38.75
Total atoms total_atoms8703
Residues n_residues1119
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 dmax127.6
Rg (real space) rg_real38.49
Rg uncertainty (real space) rg_real_error1.16
I(0) (real space) i0_real2.4080e+08
I(0) uncertainty (real space) i0_real_error4.3970e+06
Rg (reciprocal space) rg_reciprocal38.45
I(0) (reciprocal space) i0_reciprocal240800000.0000
Solution quality estimate total_estimate0.8208
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary37.3
Skewness Skewness skewness0.298
Kurtosis Kurtosis kurtosis-0.614
Angular range angular_range— – 0.2050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha35520000.0000
Real-space data points n_real_points42
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.902; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.959; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

8. Citations (1)

9. Files and Curves (10)