7sjs

Crystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CC40.8

Method: X-RAY DIFFRACTION Dmax: 80.2 Å Quality: EXCELLENT

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

;stem helix peptide of Spike protein S2' ;

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 C; UniProt 1140–1164 Not recorded CC40.8 Fab heavy chain × 1 CC40.8 Fab light chain × 1 ACT ACETATE ION × 1 SO4 SULFATE ION × 5 GOL GLYCEROL × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.26;293.15 K;0.1 M sodium acetate buffer at pH 4.26, 0.2 M ammonium sulfate, and 28% (w/v) polyethylene glycol monomethyl ether 2000 Resolution 1.61 Å R-free 0.206

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 C; PDBConstruct 1–25; UniProt 1140–1164

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 7sjs

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id7sjs
Deposition date deposition_date2021-10-18
Structure title titleCrystal structure of SARS-CoV-2 spike stem helix peptide in complex with neutralizing antibody CC40.8
Keywords keywordsSARS-CoV-2, Antibody, Spike, S2, stem helix, 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_guinier25.47
Radius of gyration Rg (electron density) rg_electron24.57
Forward intensity I(0) i039098400.00
Molecular weight molecular_weight47512.0 kDa
Excluded volume excluded_volume59032 ų
Envelope volume envelope_volume72917 ų
Hydration-shell volume shell_volume25015 ų
Envelope diameter envelope_diameter83.4
Shell Rg shell_rg31.43
Envelope Rg envelope_rg24.39
Shape Rg shape_rg24.54
Total Rg total_rg25.44
Total atoms total_atoms3338
Residues n_residues435
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 dmax80.2
Rg (real space) rg_real25.45
Rg uncertainty (real space) rg_real_error0.51
I(0) (real space) i0_real3.9100e+07
I(0) uncertainty (real space) i0_real_error5.7020e+05
Rg (reciprocal space) rg_reciprocal25.46
I(0) (reciprocal space) i0_reciprocal39100000.0000
Solution quality estimate total_estimate0.9100
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.5
Skewness Skewness skewness0.284
Kurtosis Kurtosis kurtosis-0.505
Angular range angular_range— – 0.3100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5780000.0000
Real-space data points n_real_points63
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.953; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.973

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id7sjsH01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7sjsH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7sjsL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7sjsL02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)