7kkl

SARS-CoV-2 Spike in complex with neutralizing nanobody mNb6

Method: ELECTRON MICROSCOPY Dmax: 177.8 Å Quality: REASONABLE

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

Spike glycoprotein

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 × 6 其他Polymer 18 PDB declaration: hexameric(6) Consistent with protein copy count Chain A; UniProt 1–1208 Chain C; UniProt 1–1208 Chain D; UniProt 1–1208 Not recorded Synthetic nanobody mNb6 × 3 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 18 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 27 ELECTRON MICROSCOPY cryo-EM buffer:pH 8 cryo-EM vitrification conditions:Cryogen ETHANE Resolution 2.85 Å

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 1
Chains and sequence ranges Author chain A; PDBConstruct 1–1208; UniProt 1–1208 Author chain C; PDBConstruct 1–1208; UniProt 1–1208 Author chain D; PDBConstruct 1–1208; UniProt 1–1208

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 7kkl

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7kkl
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7kkl
Deposition date deposition_date2020-10-27
Structure title titleSARS-CoV-2 Spike in complex with neutralizing nanobody mNb6
Keywords keywordsComplex, Nanobody, VHH, VIRAL PROTEIN-IMMUNE SYSTEM complex; VIRAL PROTEIN/IMMUNE SYSTEM
Experimental Method methodELECTRON MICROSCOPY

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

Radius of gyration Rg (Guinier) rg_guinier52.68
Radius of gyration Rg (electron density) rg_electron52.33
Forward intensity I(0) i02075500000.00
Molecular weight molecular_weight383670.0 kDa
Excluded volume excluded_volume480890 ų
Envelope volume envelope_volume698350 ų
Hydration-shell volume shell_volume109970 ų
Envelope diameter envelope_diameter187.7
Shell Rg shell_rg56.96
Envelope Rg envelope_rg51.28
Shape Rg shape_rg52.35
Total Rg total_rg52.39
Total atoms total_atoms53325
Residues n_residues3360
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 dmax177.8
Rg (real space) rg_real54.33
Rg uncertainty (real space) rg_real_error0.71
I(0) (real space) i0_real2.0630e+09
I(0) uncertainty (real space) i0_real_error3.2090e+07
Rg (reciprocal space) rg_reciprocal52.68
I(0) (reciprocal space) i0_reciprocal2076000000.0000
Solution quality estimate total_estimate0.6810
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary59.3
Skewness Skewness skewness0.485
Kurtosis Kurtosis kurtosis-0.047
Angular range angular_range— – 0.1500 −1
Current regularization parameter α current_alpha1.2910
Highest regularization parameter α highest_alpha287200000.0000
Real-space data points n_real_points31
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.848; Stabil: 0.905; Sysdev: 0.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.628

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

Domain ID domain_id7kklA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily960 — Spike glycoprotein, N-terminal domain
Domain ID domain_id7kklB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7kklC01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily960 — Spike glycoprotein, N-terminal domain
Domain ID domain_id7kklD01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily960 — Spike glycoprotein, N-terminal domain
Domain ID domain_id7kklE01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id7kklF01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)