6lxt

Structure of post fusion core of 2019-nCoV S2 subunit

Method: X-RAY DIFFRACTION Dmax: 122.3 Å Quality: GOOD

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

Spike protein S2, 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 homooligomer Homooligomer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 910–988 Chain A; UniProt 1162–1206 Chain B; UniProt 910–988 Chain B; UniProt 1162–1206 Chain C; UniProt 910–988 Chain C; UniProt 1162–1206 Fragment:HR1 domain,HR2 domain PG4 TETRAETHYLENE GLYCOL × 2 ZN ZINC ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;289 K;10% PEG 8000, 200 mM zinc acetate, 0.1 M MES, pH 6.0 Resolution 2.90 Å R-free 0.290
2 Protein homooligomer Homooligomer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain D; UniProt 910–988 Chain D; UniProt 1162–1206 Chain E; UniProt 910–988 Chain E; UniProt 1162–1206 Chain F; UniProt 910–988 Chain F; UniProt 1162–1206 Fragment:HR1 domain,HR2 domain ZN ZINC ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;289 K;10% PEG 8000, 200 mM zinc acetate, 0.1 M MES, pH 6.0 Resolution 2.90 Å R-free 0.290

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 1
Chains and sequence ranges Author chain A; PDBConstruct 1–79; UniProt 910–988 Author chain A; PDBConstruct 86–130; UniProt 1162–1206 Author chain B; PDBConstruct 1–79; UniProt 910–988 Author chain B; PDBConstruct 86–130; UniProt 1162–1206 Author chain C; PDBConstruct 1–79; UniProt 910–988 Author chain C; PDBConstruct 86–130; UniProt 1162–1206 Author chain D; PDBConstruct 1–79; UniProt 910–988 Author chain D; PDBConstruct 86–130; UniProt 1162–1206 Author chain E; PDBConstruct 1–79; UniProt 910–988 Author chain E; PDBConstruct 86–130; UniProt 1162–1206 Author chain F; PDBConstruct 1–79; UniProt 910–988 Author chain F; PDBConstruct 86–130; UniProt 1162–1206

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 6lxt

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6lxt
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6lxt
Deposition date deposition_date2020-02-11
Structure title titleStructure of post fusion core of 2019-nCoV S2 subunit
Keywords keywords2019-nCoV, HR1 and HR2 domain, VIRUS, VIRAL PROTEIN; VIRAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier34.79
Radius of gyration Rg (electron density) rg_electron34.88
Forward intensity I(0) i091855500.00
Molecular weight molecular_weight74810.0 kDa
Excluded volume excluded_volume93126 ų
Envelope volume envelope_volume125830 ų
Hydration-shell volume shell_volume31920 ų
Envelope diameter envelope_diameter127.2
Shell Rg shell_rg38.41
Envelope Rg envelope_rg35.36
Shape Rg shape_rg34.90
Total Rg total_rg35.07
Total atoms total_atoms5237
Residues n_residues686
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 dmax122.3
Rg (real space) rg_real35.08
Rg uncertainty (real space) rg_real_error1.28
I(0) (real space) i0_real9.1860e+07
I(0) uncertainty (real space) i0_real_error1.5960e+06
Rg (reciprocal space) rg_reciprocal34.90
I(0) (reciprocal space) i0_reciprocal91840000.0000
Solution quality estimate total_estimate0.8333
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary38.0
Skewness Skewness skewness0.553
Kurtosis Kurtosis kurtosis-0.192
Angular range angular_range— – 0.2250 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha9190000.0000
Real-space data points n_real_points46
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.743; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.815; Smooth: 0.790

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

Domain ID domain_id6lxtA00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily300
Domain ID domain_id6lxtB00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily300
Domain ID domain_id6lxtC00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily300
Domain ID domain_id6lxtD00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily300
Domain ID domain_id6lxtE00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily300
Domain ID domain_id6lxtF00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily300

8. Citations (1)

9. Files and Curves (10)