2WRG

structure of H1 1918 hemagglutinin with human receptor

PDB DOI: https://doi.org/10.2210/pdb2WRG/pdb

Classification: VIRAL PROTEIN
Organism(s): Influenza A virus (A/Brevig Mission/1/1918(H1N1))
Mutation(s): No

Deposited: 2009-09-01 Released: 2009-09-29
Deposition Author(s): Liu, J., Stevens, D.J., Haire, L.F., Walker, P.A., Coombs, P.J., Russell, R.J., Gamblin, S.J., Skehel, J.J.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 3.00 Å
R-Value Free: 0.308
R-Value Work: 0.268
R-Value Observed: 0.270

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Ligand Structure Quality Assessment

This is version 2.0 of the entry. See complete history.

Macromolecule Content

Total Structure Weight: 186.41 kDa
Atom Count: 11,619
Modelled Residue Count: 1,458
Deposited Residue Count: 1,644
Unique protein chains: 2

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
HEMAGGLUTININ HA1 CHAIN	A [auth H], C [auth J], E [auth L]	326	Influenza A virus (A/Brevig Mission/1/1918(H1N1))	Mutation(s): 0
UniProt
Find proteins for Q9WFX3 (Influenza A virus (strain A/Brevig Mission/1/1918 H1N1)) Explore Q9WFX3 Go to UniProtKB: Q9WFX3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9WFX3
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Reference Sequence

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Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
HEMAGGLUTININ HA2 CHAIN	B [auth I], D [auth K], F [auth M]	222	Influenza A virus (A/Brevig Mission/1/1918(H1N1))	Mutation(s): 0
UniProt
Find proteins for Q9WFX3 (Influenza A virus (strain A/Brevig Mission/1/1918 H1N1)) Explore Q9WFX3 Go to UniProtKB: Q9WFX3
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q9WFX3
Sequence Annotations Expand
Reference Sequence

Oligosaccharides

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Entity ID: 3
Molecule	Chains	Length	2D Diagram	Glycosylation	3D Interactions
N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose	G [auth A]	4		N/A	Interactions Focus chain G [auth A] Interactions & Density Focus chain G [auth A]
Glycosylation Resources
GlyTouCan: G03509EL GlyCosmos: G03509EL GlyGen: G03509EL

Small Molecules

Ligands 1 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NAG Query on NAG Download Ideal Coordinates CCD File SDF format, chain H SDF format, chain I [auth H] SDF format, chain J [auth H] SDF format, chain K [auth H] SDF format, chain L [auth H] SDF format, chain M [auth J] SDF format, chain N [auth J] SDF format, chain O [auth K] SDF format, chain P [auth L] SDF format, chain Q [auth L] SDF format, chain R [auth M] MOL2 format, chain H MOL2 format, chain I [auth H] MOL2 format, chain J [auth H] MOL2 format, chain K [auth H] MOL2 format, chain L [auth H] MOL2 format, chain M [auth J] MOL2 format, chain N [auth J] MOL2 format, chain O [auth K] MOL2 format, chain P [auth L] MOL2 format, chain Q [auth L] MOL2 format, chain R [auth M]	H I [auth H] J [auth H] K [auth H] L [auth H] H, I [auth H], J [auth H], K [auth H], L [auth H], M [auth J], N [auth J], O [auth K], P [auth L], Q [auth L], R [auth M]	2-acetamido-2-deoxy-beta-D-glucopyranose C₈ H₁₅ N O₆ OVRNDRQMDRJTHS-FMDGEEDCSA-N		Interactions Focus chain H Focus chain I [auth H] Focus chain J [auth H] Focus chain K [auth H] Focus chain L [auth H] Focus chain M [auth J] Focus chain N [auth J] Focus chain O [auth K] Focus chain P [auth L] Focus chain Q [auth L] Focus chain R [auth M] Interactions & Density Focus chain H Focus chain I [auth H] Focus chain J [auth H] Focus chain K [auth H] Focus chain L [auth H] Focus chain M [auth J] Focus chain N [auth J] Focus chain O [auth K] Focus chain P [auth L] Focus chain Q [auth L] Focus chain R [auth M]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 3.00 Å
R-Value Free: 0.308
R-Value Work: 0.268
R-Value Observed: 0.270
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 104.758	α = 90
b = 156.843	β = 90
c = 157.842	γ = 90

Software Package:

Software Name	Purpose
PHENIX	refinement

Structure Validation

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Entry History

Deposition Data

Released Date: 2009-09-29

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2009-09-29
Type: Initial release
Version 1.1: 2011-05-08
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Other, Structure summary

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Help and Resources

2WRG

structure of H1 1918 hemagglutinin with human receptor

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

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Entity ID: 2