6CFG
Crystal structure of the A/Vietnam/1203/2004 (H5N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
- PDB DOI: https://doi.org/10.2210/pdb6CFG/pdb
- Classification: VIRAL PROTEIN
- Organism(s): Influenza A virus (A/Viet Nam/1203/2004(H5N1))
- Expression System: Trichoplusia ni
- Mutation(s): No 
- Deposited: 2018-02-14 Released: 2019-02-13 
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.32 Å
- R-Value Free: 0.241 
- R-Value Work: 0.204 
- R-Value Observed: 0.206 
This is version 2.1 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 | 334 | Influenza A virus (A/Viet Nam/1203/2004(H5N1)) | Mutation(s): 0  Gene Names: HA | ||
UniProt | |||||
Find proteins for Q5EP31 (Influenza A virus (strain A/Vietnam/1203/2004 H5N1)) Explore Q5EP31  Go to UniProtKB:  Q5EP31 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q5EP31 | ||||
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 | 177 | Influenza A virus (A/Viet Nam/1203/2004(H5N1)) | Mutation(s): 0  Gene Names: HA | ||
UniProt | |||||
Find proteins for A8UDR1 (Influenza A virus (strain A/Vietnam/1203/2004 H5N1)) Explore A8UDR1  Go to UniProtKB:  A8UDR1 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | A8UDR1 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
EZ7 Query on EZ7 | G [auth B] | N-[2-(2-{4-[(R)-(2-methyl-2H-tetrazol-5-yl)(phenyl)methyl]piperazine-1-carbonyl}pyridin-4-yl)-1,3-benzoxazol-5-yl]acetamide C28 H27 N9 O3 VMAAUIZLAZYALS-RUZDIDTESA-N | |||
NAG Query on NAG | E [auth A], F [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
PEG Query on PEG | H [auth B] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.32 Å
- R-Value Free: 0.241 
- R-Value Work: 0.204 
- R-Value Observed: 0.206 
- Space Group: H 3 2
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 102.197 | α = 90 |
b = 102.197 | β = 90 |
c = 454.053 | γ = 120 |
Software Name | Purpose |
---|---|
PHENIX | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |
PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-02-13  Deposition Author(s): Kadam, R.U., Wilson, I.A.
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: 2019-02-13
Type: Initial release - Version 1.1: 2019-03-27
Changes: Data collection, Database references - Version 1.2: 2019-04-10
Changes: Author supporting evidence, Data collection - Version 1.3: 2019-12-18
Changes: Author supporting evidence - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Structure summary - Version 2.1: 2023-10-04
Changes: Data collection, Database references, Refinement description, Structure summary