8ios

Structure of the SARS-CoV-2 XBB.1 spike glycoprotein (closed-1 state)

Method: ELECTRON MICROSCOPY Dmax: 159.5 Å Quality: GOOD

1. Protein Identity and Related Structures Protein Identity & Related Structures

Spike glycoprotein

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 Homooligomer Protein × 3 其他Polymer 9 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 12–1210 Chain B; UniProt 12–1210 Chain C; UniProt 12–1210 Mutation:F817P, A892P, A899P, A942P, K986P, V987P, R682G, R683S, R685G 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 9 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 36 ELECTRON MICROSCOPY cryo-EM buffer:pH 7.4;calcium- and magnesium-free PBS buffer. cryo-EM vitrification conditions:Cryogen ETHANE;blotting time 5 s and blotting force 5. Resolution 2.50 Å

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 11–1205; UniProt 12–1210 Author chain B; PDBConstruct 11–1205; UniProt 12–1210 Author chain C; PDBConstruct 11–1205; UniProt 12–1210

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 8ios

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8ios
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8ios
Deposition date deposition_date2023-03-13
Structure title titleStructure of the SARS-CoV-2 XBB.1 spike glycoprotein (closed-1 state)
Keywords keywordsspike glycoprotein, VIRAL PROTEIN; VIRAL PROTEIN
Experimental Method methodELECTRON MICROSCOPY

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

Radius of gyration Rg (Guinier) rg_guinier50.19
Radius of gyration Rg (electron density) rg_electron49.74
Forward intensity I(0) i01862090000.00
Molecular weight molecular_weight364700.0 kDa
Excluded volume excluded_volume458000 ų
Envelope volume envelope_volume666950 ų
Hydration-shell volume shell_volume108730 ų
Envelope diameter envelope_diameter159.7
Shell Rg shell_rg55.89
Envelope Rg envelope_rg48.88
Shape Rg shape_rg49.78
Total Rg total_rg49.81
Total atoms total_atoms25695
Residues n_residues3189
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 dmax159.5
Rg (real space) rg_real50.09
Rg uncertainty (real space) rg_real_error1.09
I(0) (real space) i0_real1.8620e+09
I(0) uncertainty (real space) i0_real_error3.5380e+07
Rg (reciprocal space) rg_reciprocal50.27
I(0) (reciprocal space) i0_reciprocal1863000000.0000
Solution quality estimate total_estimate0.8613
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary56.6
Skewness Skewness skewness0.274
Kurtosis Kurtosis kurtosis-0.422
Angular range angular_range— – 0.1550 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha367700000.0000
Real-space data points n_real_points32
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.908; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.483

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 3 domains

CATH v4.4 (3 domains)

Domain ID domain_id8iosA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily960 — Spike glycoprotein, N-terminal domain
Domain ID domain_id8iosB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily960 — Spike glycoprotein, N-terminal domain
Domain ID domain_id8iosC01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily960 — Spike glycoprotein, N-terminal domain

8. Citations (1)

9. Files and Curves (10)