2fxp

Solution Structure of the SARS-Coronavirus HR2 Domain

Method: SOLUTION NMR Dmax: 104.5 Å Quality: SUSPICIOUS

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

Spike glycoprotein

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 homooligomer Homooligomer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 1140–1193 Chain B; UniProt 1140–1193 Chain C; UniProt 1140–1193 Fragment:HR2 domain, residues 1140-1193 No other associated polymer SOLUTION NMR NMR measurement conditions:pH 7;298 K;Ionic strength (raw mmCIF value) 10 mM;Pressure ambient NMR sample composition:1 mM monomer, 10 mM PO4, pH 7.0, 30% TFE Resolution not provided

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 2–55; UniProt 1140–1193 Author chain B; PDBConstruct 2–55; UniProt 1140–1193 Author chain C; PDBConstruct 2–55; UniProt 1140–1193

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 2fxp

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2fxp
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2fxp
Deposition date deposition_date2006-02-06
Structure title titleSolution Structure of the SARS-Coronavirus HR2 Domain
Keywords keywordsPrefusion Intermediate, Trimer, Coiled-coil, VIRAL PROTEIN; VIRAL PROTEIN
Experimental Method methodSOLUTION NMR

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

Radius of gyration Rg (Guinier) rg_guinier26.02
Radius of gyration Rg (electron density) rg_electron26.43
Forward intensity I(0) i06517650.00
Molecular weight molecular_weight18239.0 kDa
Excluded volume excluded_volume22660 ų
Envelope volume envelope_volume30649 ų
Hydration-shell volume shell_volume12561 ų
Envelope diameter envelope_diameter98.8
Shell Rg shell_rg26.49
Envelope Rg envelope_rg27.72
Shape Rg shape_rg26.48
Total Rg total_rg26.28
Total atoms total_atoms2562
Residues n_residues165
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 dmax104.5
Rg (real space) rg_real26.81
Rg uncertainty (real space) rg_real_error1.55
I(0) (real space) i0_real6.5180e+06
I(0) uncertainty (real space) i0_real_error1.1930e+05
Rg (reciprocal space) rg_reciprocal26.56
I(0) (reciprocal space) i0_reciprocal6517000.0000
Solution quality estimate total_estimate0.4537
Solution quality rating solution_quality SUSPICIOUS a SUSPICIOUS solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary17.1
Skewness Skewness skewness0.817
Kurtosis Kurtosis kurtosis0.023
Angular range angular_range— – 0.3050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1196000.0000
Real-space data points n_real_points62
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.091; Stabil: 1.000; Sysdev: 0.221; Positv: 1.000; Valcen: 0.006; Smooth: 0.954

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (1)

7. Fold Classification (SCOP + CATH) 9 domains

SCOP 2.08 (6 domains)

Domain ID domain_idd2fxpa1
Class classh — Coiled coil proteins
Fold Fold foldh.3 — Stalk segment of viral fusion proteins
Superfamily Superfamily superfamilyh.3.3 — Coronavirus S2 glycoprotein
Family Family familyh.3.3.1 — Coronavirus spike glycoprotein S2 fragments
Domain ID domain_idd2fxpa2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd2fxpb2
Class classh — Coiled coil proteins
Fold Fold foldh.3 — Stalk segment of viral fusion proteins
Superfamily Superfamily superfamilyh.3.3 — Coronavirus S2 glycoprotein
Family Family familyh.3.3.1 — Coronavirus spike glycoprotein S2 fragments
Domain ID domain_idd2fxpb3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd2fxpc2
Class classh — Coiled coil proteins
Fold Fold foldh.3 — Stalk segment of viral fusion proteins
Superfamily Superfamily superfamilyh.3.3 — Coronavirus S2 glycoprotein
Family Family familyh.3.3.1 — Coronavirus spike glycoprotein S2 fragments
Domain ID domain_idd2fxpc3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (3 domains)

Domain ID domain_id2fxpA01
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 superfamily790 — Single helix bin
Domain ID domain_id2fxpB01
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 superfamily790 — Single helix bin
Domain ID domain_id2fxpC01
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 superfamily790 — Single helix bin

8. Citations (1)

9. Files and Curves (10)