8dtx

Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22

Method: X-RAY DIFFRACTION Dmax: 108.0 Å Quality: EXCELLENT

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 I; UniProt 1145–1159 Not recorded COV89-22 heavy chain × 1 COV89-22 light chain × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;293.15 K;0.1 M sodium citrate, pH 5.6, 20% 2-propanol, and 20% PEG4000 Resolution 1.60 Å R-free 0.210
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain G; UniProt 1145–1159 Not recorded COV89-22 heavy chain × 1 COV89-22 light chain × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.6;293.15 K;0.1 M sodium citrate, pH 5.6, 20% 2-propanol, and 20% PEG4000 Resolution 1.60 Å R-free 0.210

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 1145–1159 Author chain I; PDBConstruct 1–15; UniProt 1145–1159

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 8dtx

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id8dtx
Deposition date deposition_date2022-07-26
Structure title titleCrystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody COV89-22
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_guinier34.30
Radius of gyration Rg (electron density) rg_electron33.47
Forward intensity I(0) i0158257000.00
Molecular weight molecular_weight98849.0 kDa
Excluded volume excluded_volume122980 ų
Envelope volume envelope_volume163720 ų
Hydration-shell volume shell_volume40826 ų
Envelope diameter envelope_diameter106.1
Shell Rg shell_rg40.30
Envelope Rg envelope_rg32.56
Shape Rg shape_rg33.46
Total Rg total_rg34.01
Total atoms total_atoms6960
Residues n_residues904
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 dmax108.0
Rg (real space) rg_real34.17
Rg uncertainty (real space) rg_real_error0.75
I(0) (real space) i0_real1.5830e+08
I(0) uncertainty (real space) i0_real_error2.3200e+06
Rg (reciprocal space) rg_reciprocal34.26
I(0) (reciprocal space) i0_reciprocal158300000.0000
Solution quality estimate total_estimate0.9094
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary47.0
Skewness Skewness skewness0.101
Kurtosis Kurtosis kurtosis-0.645
Angular range angular_range— – 0.2300 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha19900000.0000
Real-space data points n_real_points47
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.966

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_id8dtxA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dtxA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dtxB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dtxB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dtxH01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dtxH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dtxL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8dtxL02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)