7wue

Crystal structure of SARS-CoV-2 Receptor Binding Domain in complex with the monoclonal antibody m31A7

Method: X-RAY DIFFRACTION Dmax: 161.3 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 Other combination Heteromer Protein × 3 其他Polymer 2 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 333–527 Not recorded m31A7 Fab HEAVY CHAIN × 1 m31A7 Fab LIGHT CHAIN × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ;beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 4.6;293.15 K;2.0 M Ammonia sulfate, 0.1M sodium acetate pH 4.6 Resolution 3.20 Å R-free 0.295
2 Other combination Heteromer Protein × 3 其他Polymer 2 PDB declaration: trimeric(3) Consistent with protein copy count Chain B; UniProt 333–527 Not recorded m31A7 Fab HEAVY CHAIN × 1 m31A7 Fab LIGHT CHAIN × 1 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ;beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ; × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 4.6;293.15 K;2.0 M Ammonia sulfate, 0.1M sodium acetate pH 4.6 Resolution 3.20 Å R-free 0.295

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 1
Chains and sequence ranges Author chain A; PDBConstruct 1–195; UniProt 333–527 Author chain B; PDBConstruct 1–195; UniProt 333–527

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 7wue

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7wue
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7wue
Deposition date deposition_date2022-02-08
Structure title titleCrystal structure of SARS-CoV-2 Receptor Binding Domain in complex with the monoclonal antibody m31A7
Keywords keywordsSARS-CoV-2, Spike, receptor binding domain, m31A7, monoclonal antibody, VIRAL PROTEIN, VIRAL PROTEIN-IMMUNE SYSTEM complex; VIRAL PROTEIN/IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier47.45
Radius of gyration Rg (electron density) rg_electron48.02
Forward intensity I(0) i0294625000.00
Molecular weight molecular_weight141260.0 kDa
Excluded volume excluded_volume176580 ų
Envelope volume envelope_volume255950 ų
Hydration-shell volume shell_volume47526 ų
Envelope diameter envelope_diameter170.1
Shell Rg shell_rg47.78
Envelope Rg envelope_rg47.47
Shape Rg shape_rg47.95
Total Rg total_rg48.28
Total atoms total_atoms9952
Residues n_residues1264
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 dmax161.3
Rg (real space) rg_real48.11
Rg uncertainty (real space) rg_real_error2.05
I(0) (real space) i0_real2.9460e+08
I(0) uncertainty (real space) i0_real_error5.4750e+06
Rg (reciprocal space) rg_reciprocal47.46
I(0) (reciprocal space) i0_reciprocal294400000.0000
Solution quality estimate total_estimate0.8041
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary44.0
Skewness Skewness skewness0.539
Kurtosis Kurtosis kurtosis-0.362
Angular range angular_range— – 0.1650 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha16200000.0000
Real-space data points n_real_points34
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.803; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.774; Smooth: 0.266

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

8. Citations (1)

9. Files and Curves (10)