5zvm

Crystal Structure of the Human Coronavirus SARS HR1 motif in complex with pan-CoVs inhibitor EK1

Method: X-RAY DIFFRACTION Dmax: 111.8 Å Quality: REASONABLE

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

Spike glycoprotein

Human SARS coronavirus

UniProt P59594

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 × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain A; UniProt 892–970 Chain B; UniProt 892–970 Chain C; UniProt 892–970 Fragment:UNP residues 892-970 pan-CoV inhibitory peptide EK1 × 3 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;293 K;0.2M Li2SO4, 0.1M BIS-Tris, pH 5.5, 25% PEG3350 Resolution 3.30 Å R-free 0.301

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.

76 other PDB entries and 98 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SPIKE_CVHSA
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–80; UniProt 892–970 Author chain B; PDBConstruct 2–80; UniProt 892–970 Author chain C; PDBConstruct 2–80; UniProt 892–970

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 5zvm

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5zvm
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5zvm
Deposition date deposition_date2018-05-11
Structure title titleCrystal Structure of the Human Coronavirus SARS HR1 motif in complex with pan-CoVs inhibitor EK1
Keywords keywordsSARS, Spike protein, S2 domain, HR1 motif, pan-Coronavirus, VIRAL PROTEIN-INHIBITOR complex; VIRAL PROTEIN/INHIBITOR
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier28.19
Radius of gyration Rg (electron density) rg_electron28.76
Forward intensity I(0) i019753000.00
Molecular weight molecular_weight34664.0 kDa
Excluded volume excluded_volume43703 ų
Envelope volume envelope_volume55322 ų
Hydration-shell volume shell_volume19143 ų
Envelope diameter envelope_diameter117.6
Shell Rg shell_rg30.34
Envelope Rg envelope_rg30.38
Shape Rg shape_rg28.77
Total Rg total_rg28.90
Total atoms total_atoms2438
Residues n_residues309
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 dmax111.8
Rg (real space) rg_real29.08
Rg uncertainty (real space) rg_real_error1.70
I(0) (real space) i0_real1.9750e+07
I(0) uncertainty (real space) i0_real_error3.6510e+05
Rg (reciprocal space) rg_reciprocal28.80
I(0) (reciprocal space) i0_reciprocal19750000.0000
Solution quality estimate total_estimate0.6538
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.0
Skewness Skewness skewness0.845
Kurtosis Kurtosis kurtosis0.199
Angular range angular_range— – 0.2800 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha12810000.0000
Real-space data points n_real_points57
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.158; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.029; Smooth: 0.993

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (2)

8. Citations (1)

9. Files and Curves (10)