9cpp

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies M22-17 and CC12.3

Method: X-RAY DIFFRACTION Dmax: 139.8 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 × 5 其他Polymer 1 PDB declaration: pentameric(5) Consistent with protein copy count Chain A; UniProt 333–530 Fragment:Receptor binding domain, UNP residues 333-530 CC12.3 Fab heavy chain × 1 CC12.3 Fab light chain × 1 M22-17 Fab heavy chain × 1 M22-17 Fab light chain × 1 beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 CIT CITRIC ACID × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293.15 K;0.1 M sodium citrate citric acid buffer (pH 3.83), 25% (v/v) polyethylene glycol 200, and 9% (w/v) polyethylene glycol 6000 Resolution 3.19 Å R-free 0.279

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 1
Chains and sequence ranges Author chain A; PDBConstruct 1–198; UniProt 333–530

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 9cpp

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 9cpp
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2. Structure Basics 2. Structure Basics

Entry ID entry_id9cpp
Deposition date deposition_date2024-07-18
Structure title titleCrystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies M22-17 and CC12.3
Keywords keywordsCOVID-19, SARS-CoV-2, Receptor binding domain, Antibody, IMMUNE SYSTEM, 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_guinier41.71
Radius of gyration Rg (electron density) rg_electron41.72
Forward intensity I(0) i0200006000.00
Molecular weight molecular_weight115070.0 kDa
Excluded volume excluded_volume143710 ų
Envelope volume envelope_volume201610 ų
Hydration-shell volume shell_volume40974 ų
Envelope diameter envelope_diameter141.7
Shell Rg shell_rg45.61
Envelope Rg envelope_rg41.36
Shape Rg shape_rg41.66
Total Rg total_rg42.11
Total atoms total_atoms8111
Residues n_residues1033
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 dmax139.8
Rg (real space) rg_real41.92
Rg uncertainty (real space) rg_real_error1.49
I(0) (real space) i0_real2.0000e+08
I(0) uncertainty (real space) i0_real_error3.7640e+06
Rg (reciprocal space) rg_reciprocal41.71
I(0) (reciprocal space) i0_reciprocal200000000.0000
Solution quality estimate total_estimate0.8576
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary36.8
Skewness Skewness skewness0.352
Kurtosis Kurtosis kurtosis-0.738
Angular range angular_range— – 0.1900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha15300000.0000
Real-space data points n_real_points39
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.807; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.845; Smooth: 0.880

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

8. Citations (1)

9. Files and Curves (10)