8rrn

Crystal structure of the SARS-CoV-2 S RBD in complex with pT1616 Fab

Method: X-RAY DIFFRACTION Dmax: 186.6 Å Quality: REASONABLE

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

Spike protein S1

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 334–527 Not recorded pT1616 Fab heavy chain × 1 pT1616 Fab light chain × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;293 K;30% PEG 3000, 200 mM NaCl, 100 mM Tris pH 7.0 Resolution 3.11 Å R-free 0.291
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain B; UniProt 334–527 Not recorded pT1616 Fab heavy chain × 1 pT1616 Fab light chain × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7;293 K;30% PEG 3000, 200 mM NaCl, 100 mM Tris pH 7.0 Resolution 3.11 Å R-free 0.291

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 1–194; UniProt 334–527 Author chain B; PDBConstruct 1–194; UniProt 334–527

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 8rrn

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8rrn
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8rrn
Deposition date deposition_date2024-01-23
Structure title titleCrystal structure of the SARS-CoV-2 S RBD in complex with pT1616 Fab
Keywords keywordsPROTEIN BINDING/IMMUNE SYSTEM, PROTEIN BINDING; PROTEIN BINDING
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier51.88
Radius of gyration Rg (electron density) rg_electron53.23
Forward intensity I(0) i0274509000.00
Molecular weight molecular_weight135050.0 kDa
Excluded volume excluded_volume168360 ų
Envelope volume envelope_volume244170 ų
Hydration-shell volume shell_volume44265 ų
Envelope diameter envelope_diameter194.7
Shell Rg shell_rg44.92
Envelope Rg envelope_rg54.35
Shape Rg shape_rg53.16
Total Rg total_rg53.14
Total atoms total_atoms18717
Residues n_residues1261
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 dmax186.6
Rg (real space) rg_real52.81
Rg uncertainty (real space) rg_real_error3.39
I(0) (real space) i0_real2.7450e+08
I(0) uncertainty (real space) i0_real_error6.7370e+06
Rg (reciprocal space) rg_reciprocal51.12
I(0) (reciprocal space) i0_reciprocal273900000.0000
Solution quality estimate total_estimate0.6679
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary31.1
Skewness Skewness skewness0.741
Kurtosis Kurtosis kurtosis-0.109
Angular range angular_range— – 0.1500 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha13260000.0000
Real-space data points n_real_points31
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.371; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.410; Smooth: 0.155

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

8. Citations (1)

9. Files and Curves (10)