7xsc

Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10

Method: X-RAY DIFFRACTION Dmax: 128.0 Å Quality: REASONABLE

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 E; UniProt 319–529 Fragment:receptor binding domain P5S-2B10 Heavy chain × 1 P5S-2B10 Light chain × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;291.15 K;0.2M Magnesium sulfate heptahydrate, 17% w/v Polyethylene glycol 3350 Resolution 2.88 Å R-free 0.250
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain F; UniProt 319–529 Fragment:receptor binding domain P5S-2B10 Heavy chain × 1 P5S-2B10 Light chain × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;291.15 K;0.2M Magnesium sulfate heptahydrate, 17% w/v Polyethylene glycol 3350 Resolution 2.88 Å R-free 0.250

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 2
Chains and sequence ranges Author chain E; PDBConstruct 42–252; UniProt 319–529 Author chain F; PDBConstruct 42–252; UniProt 319–529

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 7xsc

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id7xsc
Deposition date deposition_date2022-05-13
Structure title titleCrystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-2B10
Keywords keywordsSARS-CoV-2, antibody, 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_guinier38.76
Radius of gyration Rg (electron density) rg_electron38.58
Forward intensity I(0) i0275040000.00
Molecular weight molecular_weight133650.0 kDa
Excluded volume excluded_volume166680 ų
Envelope volume envelope_volume224610 ų
Hydration-shell volume shell_volume49745 ų
Envelope diameter envelope_diameter134.0
Shell Rg shell_rg43.01
Envelope Rg envelope_rg38.28
Shape Rg shape_rg38.52
Total Rg total_rg39.05
Total atoms total_atoms9423
Residues n_residues1226
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 dmax128.0
Rg (real space) rg_real38.78
Rg uncertainty (real space) rg_real_error0.86
I(0) (real space) i0_real2.7500e+08
I(0) uncertainty (real space) i0_real_error4.6460e+06
Rg (reciprocal space) rg_reciprocal38.77
I(0) (reciprocal space) i0_reciprocal275000000.0000
Solution quality estimate total_estimate0.6955
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary46.8
Skewness Skewness skewness0.308
Kurtosis Kurtosis kurtosis-0.406
Angular range angular_range— – 0.2050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha24340000.0000
Real-space data points n_real_points42
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.917; Stabil: 1.000; Sysdev: 0.132; Positv: 1.000; Valcen: 0.994; Smooth: 0.897

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 8 domains

CATH v4.4 (8 domains)

Domain ID domain_id7xscA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7xscA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7xscB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7xscB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7xscD01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7xscD02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7xscH01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7xscH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)