7ps6

Crystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-44 and Beta-54 Fabs

Method: X-RAY DIFFRACTION Dmax: 139.2 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 Other combination Heteromer Protein × 5 其他Polymer 1 PDB declaration: pentameric(5) Consistent with protein copy count Chain E; UniProt 333–526 Not recorded Beta-54 Fab heavy chain × 1 Beta-54 Fab light chain × 1 Beta-44 Fab heavy chain × 1 Beta-44 Fab light chain × 1 alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 1 GOL GLYCEROL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M Citric acid pH 3.5 and 25% (w/v) PEG 3350 Resolution 2.26 Å R-free 0.240

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 3
Chains and sequence ranges Author chain E; PDBConstruct 15–208; 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 7ps6

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7ps6
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7ps6
Deposition date deposition_date2021-09-22
Structure title titleCrystal structure of the receptor binding domain of SARS-CoV-2 beta variant spike glycoprotein in complex with Beta-44 and Beta-54 Fabs
Keywords keywords;SARS-COV-2 B.1.1.7 (Alpha) VARIANT, B.1.351 (Beta) VARIANT, P.1 (Gamma) VARIANT, B.1.617.2 (Delta) VARIANT, ANTIBODY, RECEPTOR-BINDING-DOMAIN, SPIKE, NEUTRALISATION, VIRAL PROTEIN/IMMUNE SYSTEM, VIRAL PROTEIN, IMMUNE SYSTEM, VIRAL PROTEIN-IMMUNE SYSTEM COMPLEX ;; VIRAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier40.48
Radius of gyration Rg (electron density) rg_electron40.19
Forward intensity I(0) i0203278000.00
Molecular weight molecular_weight114860.0 kDa
Excluded volume excluded_volume143270 ų
Envelope volume envelope_volume201880 ų
Hydration-shell volume shell_volume43265 ų
Envelope diameter envelope_diameter132.5
Shell Rg shell_rg43.92
Envelope Rg envelope_rg39.60
Shape Rg shape_rg40.14
Total Rg total_rg40.59
Total atoms total_atoms8087
Residues n_residues1060
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 dmax139.2
Rg (real space) rg_real42.29
Rg uncertainty (real space) rg_real_error0.68
I(0) (real space) i0_real2.0410e+08
I(0) uncertainty (real space) i0_real_error3.2250e+06
Rg (reciprocal space) rg_reciprocal40.48
I(0) (reciprocal space) i0_reciprocal203300000.0000
Solution quality estimate total_estimate0.6589
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary42.8
Skewness Skewness skewness0.352
Kurtosis Kurtosis kurtosis-0.422
Angular range angular_range— – 0.1950 −1
Current regularization parameter α current_alpha1.6690
Highest regularization parameter α highest_alpha12510000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.910; Stabil: 0.868; Sysdev: 0.000; Positv: 1.000; Valcen: 0.862; Smooth: 0.489

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (11)

7. Fold Classification (SCOP + CATH) 8 domains

CATH v4.4 (8 domains)

Domain ID domain_id7ps6C01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7ps6C02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7ps6D01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7ps6D02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7ps6H01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7ps6H02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7ps6L01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7ps6L02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)