8df5

SARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab

Method: X-RAY DIFFRACTION Dmax: 228.8 Å Quality: GOOD

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

Angiotensin-converting enzyme 2

Homo sapiens

UniProt Q9BYF1

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Other combination Heteromer Protein × 12 其他Polymer 2 PDB declaration: dodecameric(12) Consistent with protein copy count Chain E; UniProt 1–805 Chain F; UniProt 1–805 Not recorded S309 Fab Heavy Chain × 2 S309 Fab Light Chain × 2 S304 Fab Heavy Chain × 2 S304 Fab Light Chain × 2 Spike protein S1 × 2 (P0DTC2) 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 30 CL CHLORIDE ION × 22 ZN ZINC ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 13 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M Tris (base)/bicine pH 8.5, 3% w/v D- sorbitol Resolution 2.70 Å R-free 0.217

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.

338 other PDB entries and 388 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ACE2_HUMAN
Isoform
PDB entities 3
Chains and sequence ranges Author chain E; PDBConstruct 1–805; UniProt 1–805 Author chain F; PDBConstruct 1–805; UniProt 1–805

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 Other combination Heteromer Protein × 12 其他Polymer 2 PDB declaration: dodecameric(12) Consistent with protein copy count Chain R; UniProt 328–529 Chain S; UniProt 328–529 Not recorded S309 Fab Heavy Chain × 2 S309 Fab Light Chain × 2 Angiotensin-converting enzyme 2 × 2 (Q9BYF1) S304 Fab Heavy Chain × 2 S304 Fab Light Chain × 2 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 30 CL CHLORIDE ION × 22 ZN ZINC ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 13 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;293 K;10% w/v PEG 8000, 20% v/v ethylene glycol, 0.1 M Tris (base)/bicine pH 8.5, 3% w/v D- sorbitol Resolution 2.70 Å R-free 0.217

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 6
Chains and sequence ranges Author chain R; PDBConstruct 33–234; UniProt 328–529 Author chain S; PDBConstruct 33–234; UniProt 328–529

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 8df5

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8df5
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id8df5
Deposition date deposition_date2022-06-21
Structure title titleSARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab
Keywords keywords;RBD, SARS-CoV-2, COVID, S309, beta, B.1.351, Structural Genomics, Seattle Structural Genomics Center for Infectious Disease, SSGCID, VIRAL PROTEIN, VIRAL PROTEIN-Hydrolase-Immune System complex ;; VIRAL PROTEIN/Hydrolase/Immune System
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier64.07
Radius of gyration Rg (electron density) rg_electron64.85
Forward intensity I(0) i01986560000.00
Molecular weight molecular_weight367790.0 kDa
Excluded volume excluded_volume456730 ų
Envelope volume envelope_volume697380 ų
Hydration-shell volume shell_volume97694 ų
Envelope diameter envelope_diameter250.7
Shell Rg shell_rg57.57
Envelope Rg envelope_rg63.90
Shape Rg shape_rg64.82
Total Rg total_rg64.79
Total atoms total_atoms25888
Residues n_residues3324
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 dmax228.8
Rg (real space) rg_real64.69
Rg uncertainty (real space) rg_real_error2.37
I(0) (real space) i0_real1.9860e+09
I(0) uncertainty (real space) i0_real_error4.3890e+07
Rg (reciprocal space) rg_reciprocal63.49
I(0) (reciprocal space) i0_reciprocal1982000000.0000
Solution quality estimate total_estimate0.8486
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary66.7
Skewness Skewness skewness0.529
Kurtosis Kurtosis kurtosis-0.153
Angular range angular_range— – 0.1200 −1
Current regularization parameter α current_alpha0.0016
Highest regularization parameter α highest_alpha91220000.0000
Real-space data points n_real_points25
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.776; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.955; Smooth: 0.743

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (12)

7. Fold Classification (SCOP + CATH) 16 domains

CATH v4.4 (16 domains)

Domain ID domain_id8df5A01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5A02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5B01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5B02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5C01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5C02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5D01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5D02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5H01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5H02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5L01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5L02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5M01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5M02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5N01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id8df5N02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)