4nm8

Crystal structure of broadly neutralizing antibody CR8043 bound to H3 influenza hemagglutinin

Method: X-RAY DIFFRACTION Dmax: 175.0 Å Quality: GOOD

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

Hemagglutinin HA1 Chain

Influenza A virus (strain A/Hong Kong/1/1968 H3N2)

UniProt Q91MA7

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 6 PDB declaration: dodecameric(12) Consistent with protein copy count Chain A; UniProt 27–345 Chain B; UniProt 346–521 Chain C; UniProt 27–345 Chain D; UniProt 346–521 Chain E; UniProt 27–345 Chain F; UniProt 346–521 Not recorded Antibody CR8043, Light Chain × 3 (P0DOX7) Antibody CR8043, Heavy Chain × 3 (Q6N089) 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;2.2 M ammonium sulfate, 0.1 M sodium acetate pH 5.5, 3% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K Resolution 4.00 Å R-free 0.292

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.

46 other PDB entries and 90 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name HEMA_I68A4
Isoform
PDB entities 1, 2
Chains and sequence ranges Author chain A; PDBConstruct 5–323; UniProt 27–345 Author chain C; PDBConstruct 5–323; UniProt 27–345 Author chain E; PDBConstruct 5–323; UniProt 27–345 Author chain B; PDBConstruct 1–176; UniProt 346–521 Author chain D; PDBConstruct 1–176; UniProt 346–521 Author chain F; PDBConstruct 1–176; UniProt 346–521

Antibody CR8043, Light Chain

Homo sapiens

UniProt P0DOX7

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 6 PDB declaration: dodecameric(12) Consistent with protein copy count Chain L; UniProt 115–214 Chain M; UniProt 115–214 Chain N; UniProt 115–214 Not recorded Hemagglutinin HA1 Chain × 3 (Q91MA7) Hemagglutinin HA2 Chain × 3 (Q91MA7) Antibody CR8043, Heavy Chain × 3 (Q6N089) 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;2.2 M ammonium sulfate, 0.1 M sodium acetate pH 5.5, 3% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K Resolution 4.00 Å R-free 0.292

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.

18 other PDB entries and 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name IGK_HUMAN
Isoform
PDB entities 3
Chains and sequence ranges Author chain L; PDBConstruct 121–220; UniProt 115–214 Author chain M; PDBConstruct 121–220; UniProt 115–214 Author chain N; PDBConstruct 121–220; UniProt 115–214

Antibody CR8043, Heavy Chain

Homo sapiens

UniProt Q6N089

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 6 PDB declaration: dodecameric(12) Consistent with protein copy count Chain H; UniProt 151–245 Chain I; UniProt 151–245 Chain J; UniProt 151–245 Not recorded Hemagglutinin HA1 Chain × 3 (Q91MA7) Hemagglutinin HA2 Chain × 3 (Q91MA7) Antibody CR8043, Light Chain × 3 (P0DOX7) 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;2.2 M ammonium sulfate, 0.1 M sodium acetate pH 5.5, 3% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 277K Resolution 4.00 Å R-free 0.292

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.

17 other PDB entries and 29 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name Q6N089_HUMAN
Isoform
PDB entities 4
Chains and sequence ranges Author chain H; PDBConstruct 130–224; UniProt 151–245 Author chain I; PDBConstruct 130–224; UniProt 151–245 Author chain J; PDBConstruct 130–224; UniProt 151–245

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 4nm8

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4nm8
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4nm8
Deposition date deposition_date2013-11-14
Structure title titleCrystal structure of broadly neutralizing antibody CR8043 bound to H3 influenza hemagglutinin
Keywords keywords;Viral fusion protein, immunoglobulin, virus attachment and entry, immune recognition, viral protein-immune system complex, Immunoglobulin' ;; viral protein/immune system
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier55.07
Radius of gyration Rg (electron density) rg_electron55.10
Forward intensity I(0) i01420860000.00
Molecular weight molecular_weight307890.0 kDa
Excluded volume excluded_volume382190 ų
Envelope volume envelope_volume549660 ų
Hydration-shell volume shell_volume85677 ų
Envelope diameter envelope_diameter175.5
Shell Rg shell_rg55.02
Envelope Rg envelope_rg54.63
Shape Rg shape_rg55.09
Total Rg total_rg55.12
Total atoms total_atoms21672
Residues n_residues2715
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 dmax175.0
Rg (real space) rg_real54.93
Rg uncertainty (real space) rg_real_error1.25
I(0) (real space) i0_real1.4210e+09
I(0) uncertainty (real space) i0_real_error2.3810e+07
Rg (reciprocal space) rg_reciprocal55.17
I(0) (reciprocal space) i0_reciprocal1421000000.0000
Solution quality estimate total_estimate0.8745
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary84.5
Skewness Skewness skewness0.085
Kurtosis Kurtosis kurtosis-0.675
Angular range angular_range— – 0.1450 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha112700000.0000
Real-space data points n_real_points30
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.905; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.651

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 18 domains

CATH v4.4 (18 domains)

Domain ID domain_id4nm8A01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
Homologous superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
Domain ID domain_id4nm8B00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology20 — Hemagglutinin Ectodomain; Chain B
Homologous superfamily homologous superfamily10
Domain ID domain_id4nm8C01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
Homologous superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
Domain ID domain_id4nm8D00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology20 — Hemagglutinin Ectodomain; Chain B
Homologous superfamily homologous superfamily10
Domain ID domain_id4nm8E01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology209 — Hemagglutinin (Ha1 Chain); Chain: A; domain 1
Homologous superfamily homologous superfamily20 — Haemagglutinin, alpha/beta domain, HA1 chain
Domain ID domain_id4nm8F00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology20 — Hemagglutinin Ectodomain; Chain B
Homologous superfamily homologous superfamily10
Domain ID domain_id4nm8H01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8H02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8I01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8I02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8J01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8J02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8L01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8L02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8M01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8M02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8N01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id4nm8N02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)