5W5S
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141019 (P5)
- PDB DOI: https://doi.org/10.2210/pdb5W5S/pdb
- Classification: VIRAL PROTEIN
- Organism(s): Influenza A virus (A/Puerto Rico/8/1934(H1N1)), synthetic construct
- Expression System: Trichoplusia ni
- Mutation(s): No 
- Deposited: 2017-06-15 Released: 2017-10-04 
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.28 Å
- R-Value Free: 0.227 
- R-Value Work: 0.190 
- R-Value Observed: 0.192 
This is version 2.2 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Hemagglutinin | 326 | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Mutation(s): 0  Gene Names: HA | ||
UniProt | |||||
Find proteins for P03452 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)) Explore P03452  Go to UniProtKB:  P03452 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P03452 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Hemagglutinin | 176 | Influenza A virus (A/Puerto Rico/8/1934(H1N1)) | Mutation(s): 0  Gene Names: HA | ||
UniProt | |||||
Find proteins for P03452 (Influenza A virus (strain A/Puerto Rico/8/1934 H1N1)) Explore P03452  Go to UniProtKB:  P03452 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P03452 | ||||
Sequence AnnotationsExpand | |||||
|
Find similar proteins by: Sequence | 3D Structure
Entity ID: 3 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
ACE-PH8-ORN-LEU-GLU-TYR-ZCL-GLU-TRP-LEU-SER-BAL | C [auth D] | 12 | synthetic construct | Mutation(s): 0  | |
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAG Query on NAG | G [auth A], H [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
CL Query on CL | I [auth A], J [auth A], K [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |
Modified Residues 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Type | Formula | 2D Diagram | Parent |
ORN Query on ORN | C [auth D] | L-PEPTIDE LINKING | C5 H12 N2 O2 | ALA | |
ZCL Query on ZCL | C [auth D] | L-PEPTIDE LINKING | C9 H9 Cl2 N O2 | PHE |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.28 Å
- R-Value Free: 0.227 
- R-Value Work: 0.190 
- R-Value Observed: 0.192 
- Space Group: I 21 3
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 162.897 | α = 90 |
b = 162.897 | β = 90 |
c = 162.897 | γ = 90 |
Software Name | Purpose |
---|---|
PHENIX | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2017-10-04  Deposition Author(s): Wilson, I.A., Kadam, R.U.
Funding Organization | Location | Grant Number |
---|---|---|
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | R56 AI117675 |
Revision History (Full details and data files)
- Version 1.0: 2017-10-04
Type: Initial release - Version 1.1: 2017-10-25
Changes: Database references - Version 1.2: 2017-11-08
Changes: Database references - Version 1.3: 2017-12-06
Changes: Database references - Version 1.4: 2019-12-11
Changes: Author supporting evidence - Version 1.5: 2020-03-04
Changes: Data collection, Derived calculations - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Structure summary - Version 2.1: 2023-10-04
Changes: Data collection, Database references, Refinement description, Structure summary - Version 2.2: 2023-11-15
Changes: Data collection