8dtt

Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03

Method: X-RAY DIFFRACTION Dmax: 113.4 Å Quality: GOOD

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

;Spike protein S2' stem helix peptide ;

OrganismNot specified

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 G; UniProt 1148–1162 Not recorded COV93-03 heavy chain × 1 COV93-03 light chain × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;293.15 K;0.2M sodium chloride, 0.1M Tris, pH7, 30% PEG3000 Resolution 1.75 Å R-free 0.225
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain J; UniProt 1148–1162 Not recorded COV93-03 heavy chain × 1 COV93-03 light chain × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;293.15 K;0.2M sodium chloride, 0.1M Tris, pH7, 30% PEG3000 Resolution 1.75 Å R-free 0.225

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 3
Chains and sequence ranges Author chain G; PDBConstruct 1–15; UniProt 1148–1162 Author chain J; PDBConstruct 1–15; UniProt 1148–1162

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 8dtt

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id8dtt
Deposition date deposition_date2022-07-26
Structure title titleCrystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV93-03
Keywords keywordsSARS-CoV-2, coronavirus, antibody, stem helix, neutralizing antibody, COVID-19, IMMUNE SYSTEM; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier36.00
Radius of gyration Rg (electron density) rg_electron35.62
Forward intensity I(0) i0140646000.00
Molecular weight molecular_weight94851.0 kDa
Excluded volume excluded_volume118480 ų
Envelope volume envelope_volume158480 ų
Hydration-shell volume shell_volume38227 ų
Envelope diameter envelope_diameter116.6
Shell Rg shell_rg40.53
Envelope Rg envelope_rg35.10
Shape Rg shape_rg35.61
Total Rg total_rg36.01
Total atoms total_atoms6685
Residues n_residues873
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 dmax113.4
Rg (real space) rg_real36.04
Rg uncertainty (real space) rg_real_error0.69
I(0) (real space) i0_real1.4060e+08
I(0) uncertainty (real space) i0_real_error2.3310e+06
Rg (reciprocal space) rg_reciprocal36.02
I(0) (reciprocal space) i0_reciprocal140600000.0000
Solution quality estimate total_estimate0.8802
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks0
Primary peak position r_peak_primary
Skewness Skewness skewness0.275
Kurtosis Kurtosis kurtosis-0.615
Angular range angular_range— – 0.2200 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha15430000.0000
Real-space data points n_real_points45
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.968; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.571

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 8 domains

CATH v4.4 (8 domains)

Domain ID domain_id8dttA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dttA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dttB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dttB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dttE01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dttE02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dttF01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dttF02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)