2QWE
THE X-RAY STRUCTURE OF A COMPLEX OF 4-GUANIDINO-NEU5AC2EN AND A DRUG RESISTANT VARIANT R292K OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE
- PDB DOI: https://doi.org/10.2210/pdb2QWE/pdb
- Classification: HYDROLASE
- Organism(s): Influenza A virus
- Mutation(s): Yes 
- Deposited: 1998-04-07 Released: 1998-11-11 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Work: 0.149 
- R-Value Observed: 0.149 
wwPDB Validation   3D Report Full Report
This is version 3.2 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 |
NEURAMINIDASE | 388 | Influenza A virus | Mutation(s): 1  EC: 3.2.1.18 | ||
UniProt | |||||
Find proteins for P03472 (Influenza A virus (strain A/Tern/Australia/G70C/1975 H11N9)) Explore P03472  Go to UniProtKB:  P03472 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P03472 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | B | 7 | N-Glycosylation | ||
Glycosylation Resources | |||||
GlyTouCan:  G46836GH GlyCosmos:  G46836GH GlyGen:  G46836GH |
Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
ZMR Query on ZMR | G [auth A] | ZANAMIVIR C12 H20 N4 O7 ARAIBEBZBOPLMB-UFGQHTETSA-N | |||
NAG Query on NAG | D [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
CA Query on CA | E [auth A], F [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Work: 0.149 
- R-Value Observed: 0.149 
- Space Group: I 4 3 2
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 180.85 | α = 90 |
b = 180.85 | β = 90 |
c = 180.85 | γ = 90 |
Software Name | Purpose |
---|---|
R-AXISII | data collection |
PROTEIN | data reduction |
X-PLOR | model building |
X-PLOR | refinement |
R-AXIS | data reduction |
PROTEIN | data scaling |
X-PLOR | phasing |
Entry History 
Deposition Data
- Released Date: 1998-11-11  Deposition Author(s): Varghese, J.N.
Revision History (Full details and data files)
- Version 1.0: 1998-11-11
Type: Initial release - Version 1.1: 2008-03-03
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 2.0: 2020-04-22
Changes: Advisory, Atomic model, Data collection, Derived calculations, Non-polymer description, Other, Structure summary - Version 3.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Structure summary - Version 3.1: 2021-11-03
Changes: Advisory, Database references, Structure summary - Version 3.2: 2024-04-03
Changes: Data collection, Refinement description