7y8j

3D1 in complex with 6-mer HR1 peptide from SARS-CoV-2

Method: X-RAY DIFFRACTION Dmax: 56.8 Å Quality: EXCELLENT

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

;Spike protein S2' ;

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 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 950–956 Fragment:HR1 domain heavy chain of 3D1 × 1 light chain of 3D1 × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;289 K;0.1 M HEPES pH7.5, 25% PEG8000 Resolution 1.03 Å R-free 0.145

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 2
Chains and sequence ranges Author chain A; PDBConstruct 1–7; UniProt 950–956

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 7y8j

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7y8j
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id7y8j
Deposition date deposition_date2022-06-24
Structure title title3D1 in complex with 6-mer HR1 peptide from SARS-CoV-2
Keywords keywordshuman antibody, broad, coronavirus, ANTIMICROBIAL PROTEIN, ANTIMICROBIAL PROTEIN-IMMUNE SYSTEM complex; ANTIMICROBIAL PROTEIN/IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier18.50
Radius of gyration Rg (electron density) rg_electron17.42
Forward intensity I(0) i012258600.00
Molecular weight molecular_weight25393.0 kDa
Excluded volume excluded_volume31396 ų
Envelope volume envelope_volume35469 ų
Hydration-shell volume shell_volume17167 ų
Envelope diameter envelope_diameter56.7
Shell Rg shell_rg23.42
Envelope Rg envelope_rg17.65
Shape Rg shape_rg17.37
Total Rg total_rg18.45
Total atoms total_atoms3476
Residues n_residues242
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 dmax56.8
Rg (real space) rg_real18.41
Rg uncertainty (real space) rg_real_error0.27
I(0) (real space) i0_real1.2260e+07
I(0) uncertainty (real space) i0_real_error1.3230e+05
Rg (reciprocal space) rg_reciprocal18.43
I(0) (reciprocal space) i0_reciprocal12260000.0000
Solution quality estimate total_estimate0.9091
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary23.4
Skewness Skewness skewness0.184
Kurtosis Kurtosis kurtosis-0.472
Angular range angular_range— – 0.4300 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3710000.0000
Real-space data points n_real_points74
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.998

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id7y8jL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)