3eym

Structure of Influenza Haemagglutinin in complex with an inhibitor of membrane fusion

Method: X-RAY DIFFRACTION Dmax: 140.4 Å Quality: GOOD

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

Hemagglutinin HA1 chain

OrganismNot specified

UniProt P03437

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 homooligomer Homooligomer Protein × 6 PDB declaration: hexameric(6) Consistent with protein copy count Chain A; UniProt 25–345 Chain B; UniProt 346–517 Chain C; UniProt 25–345 Chain D; UniProt 346–517 Chain E; UniProt 25–345 Chain F; UniProt 346–517 Not recorded EYK 2-tert-butylbenzene-1,4-diol × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8;293 K;Ammonium citratre, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K Resolution 2.80 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.

42 other PDB entries and 48 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name HEMA_I68A0
Isoform
PDB entities 1, 2
Chains and sequence ranges Author chain A; PDBConstruct 1–321; UniProt 25–345 Author chain C; PDBConstruct 1–321; UniProt 25–345 Author chain E; PDBConstruct 1–321; UniProt 25–345 Author chain B; PDBConstruct 1–172; UniProt 346–517 Author chain D; PDBConstruct 1–172; UniProt 346–517 Author chain F; PDBConstruct 1–172; UniProt 346–517

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 3eym

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3eym
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id3eym
Deposition date deposition_date2008-10-21
Structure title titleStructure of Influenza Haemagglutinin in complex with an inhibitor of membrane fusion
Keywords keywords;Influenza, hemagglutinin, inhibitor, Envelope protein, Fusion protein, Glycoprotein, Lipoprotein, Membrane, Palmitate, Transmembrane, Virion, VIRAL PROTEIN ;; VIRAL PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier41.43
Radius of gyration Rg (electron density) rg_electron40.86
Forward intensity I(0) i0428737000.00
Molecular weight molecular_weight164610.0 kDa
Excluded volume excluded_volume203910 ų
Envelope volume envelope_volume260930 ų
Hydration-shell volume shell_volume55054 ų
Envelope diameter envelope_diameter139.8
Shell Rg shell_rg44.48
Envelope Rg envelope_rg40.68
Shape Rg shape_rg40.87
Total Rg total_rg41.01
Total atoms total_atoms11580
Residues n_residues1469
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 dmax140.4
Rg (real space) rg_real41.66
Rg uncertainty (real space) rg_real_error1.07
I(0) (real space) i0_real4.2870e+08
I(0) uncertainty (real space) i0_real_error7.8020e+06
Rg (reciprocal space) rg_reciprocal41.43
I(0) (reciprocal space) i0_reciprocal428600000.0000
Solution quality estimate total_estimate0.7799
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary40.6
Skewness Skewness skewness0.501
Kurtosis Kurtosis kurtosis-0.439
Angular range angular_range— – 0.1900 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha44700000.0000
Real-space data points n_real_points39
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.725; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.960; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

Domain ID domain_idd3eyma_
Class classb — All beta proteins
Fold Fold foldb.19 — Viral protein domain
Superfamily Superfamily superfamilyb.19.1 — Viral protein domain
Family Family familyb.19.1.2 — Influenza hemagglutinin headpiece
Domain ID domain_idd3eymb_
Class classh — Coiled coil proteins
Fold Fold foldh.3 — Stalk segment of viral fusion proteins
Superfamily Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
Family Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
Domain ID domain_idd3eymc_
Class classb — All beta proteins
Fold Fold foldb.19 — Viral protein domain
Superfamily Superfamily superfamilyb.19.1 — Viral protein domain
Family Family familyb.19.1.2 — Influenza hemagglutinin headpiece
Domain ID domain_idd3eymd_
Class classh — Coiled coil proteins
Fold Fold foldh.3 — Stalk segment of viral fusion proteins
Superfamily Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
Family Family familyh.3.1.1 — Influenza hemagglutinin (stalk)
Domain ID domain_idd3eyme_
Class classb — All beta proteins
Fold Fold foldb.19 — Viral protein domain
Superfamily Superfamily superfamilyb.19.1 — Viral protein domain
Family Family familyb.19.1.2 — Influenza hemagglutinin headpiece
Domain ID domain_idd3eymf_
Class classh — Coiled coil proteins
Fold Fold foldh.3 — Stalk segment of viral fusion proteins
Superfamily Superfamily superfamilyh.3.1 — Influenza hemagglutinin (stalk)
Family Family familyh.3.1.1 — Influenza hemagglutinin (stalk)

CATH v4.4 (6 domains)

Domain ID domain_id3eymA01
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_id3eymB00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology20 — Hemagglutinin Ectodomain; Chain B
Homologous superfamily homologous superfamily10
Domain ID domain_id3eymC01
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_id3eymD00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology20 — Hemagglutinin Ectodomain; Chain B
Homologous superfamily homologous superfamily10
Domain ID domain_id3eymE01
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_id3eymF00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology20 — Hemagglutinin Ectodomain; Chain B
Homologous superfamily homologous superfamily10

8. Citations (1)

9. Files and Curves (10)