6c6y

Crystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain

Method: X-RAY DIFFRACTION Dmax: 141.2 Å Quality: GOOD

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

Spike glycoprotein

Betacoronavirus England 1

UniProt K9N5Q8

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 S; UniProt 381–588 Fragment:Receptor Binding Domain residues 381-588 JC57-14 Heavy chain × 1 JC57-14 Light chain × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 9.5;293 K;90 mM CHES pH 9.5, 18% PEG 8,000 Resolution 3.32 Å R-free 0.267
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain R; UniProt 381–588 Fragment:Receptor Binding Domain residues 381-588 JC57-14 Heavy chain × 1 JC57-14 Light chain × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 9.5;293 K;90 mM CHES pH 9.5, 18% PEG 8,000 Resolution 3.32 Å R-free 0.267

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.

12 other PDB entries and 20 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SPIKE_CVEMC
Isoform
PDB entities 3
Chains and sequence ranges Author chain R; PDBConstruct 1–208; UniProt 381–588 Author chain S; PDBConstruct 1–208; UniProt 381–588

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 6c6y

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6c6y
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6c6y
Deposition date deposition_date2018-01-19
Structure title titleCrystal structure of Middle-East Respiratory Syndrome (MERS) coronavirus neutralizing antibody JC57-14 isolated from a vaccinated rhesus macaque in complex with MERS Receptor Binding Domain
Keywords keywordsantibody, neutralizing, vaccine, IMMUNE SYSTEM; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier40.62
Radius of gyration Rg (electron density) rg_electron40.53
Forward intensity I(0) i0292137000.00
Molecular weight molecular_weight137900.0 kDa
Excluded volume excluded_volume172100 ų
Envelope volume envelope_volume242330 ų
Hydration-shell volume shell_volume51974 ų
Envelope diameter envelope_diameter138.9
Shell Rg shell_rg43.81
Envelope Rg envelope_rg39.71
Shape Rg shape_rg40.51
Total Rg total_rg40.81
Total atoms total_atoms9703
Residues n_residues1260
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 dmax141.2
Rg (real space) rg_real40.79
Rg uncertainty (real space) rg_real_error1.32
I(0) (real space) i0_real2.9210e+08
I(0) uncertainty (real space) i0_real_error5.3920e+06
Rg (reciprocal space) rg_reciprocal40.62
I(0) (reciprocal space) i0_reciprocal292100000.0000
Solution quality estimate total_estimate0.7903
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary43.5
Skewness Skewness skewness0.479
Kurtosis Kurtosis kurtosis-0.273
Angular range angular_range— – 0.1950 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha24840000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.793; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.890; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 10 domains

CATH v4.4 (10 domains)

Domain ID domain_id6c6yA02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6c6yB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6c6yB02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6c6yH02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6c6yL01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6c6yL02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id6c6yR01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1840 — Spike protein, C-terminal core receptor binding subdomain
Domain ID domain_id6c6yR02
Class class2 — Mainly Beta
Architecture architecture20 — Single Sheet
Topology topology210 — ubp-family deubiquitinating enzyme fold
Homologous superfamily homologous superfamily30
Domain ID domain_id6c6yS01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily1840 — Spike protein, C-terminal core receptor binding subdomain
Domain ID domain_id6c6yS02
Class class2 — Mainly Beta
Architecture architecture20 — Single Sheet
Topology topology210 — ubp-family deubiquitinating enzyme fold
Homologous superfamily homologous superfamily30

8. Citations (1)

9. Files and Curves (10)