1K7V

Crystal Structure Analysis of crosslinked-WGA3/GlcNAcbeta1,6Galbeta1,4Glc

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.20 Å
  • R-Value Free: 0.310 
  • R-Value Work: 0.232 

wwPDB Validation   3D Report Full Report


This is version 3.1 of the entry. See complete history. 



Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
agglutinin isolectin 3
A, B
186Triticum aestivumMutation(s): 0 
UniProt
Find proteins for P10969 (Triticum aestivum)
Explore P10969 
Go to UniProtKB:  P10969
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP10969
Sequence Annotations
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  • Reference Sequence
Oligosaccharides

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Entity ID: 2
MoleculeChains Length2D Diagram Glycosylation3D Interactions
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
C, D
3N/A
Glycosylation Resources
GlyTouCan:  G83540EL
GlyCosmos:  G83540EL
GlyGen:  G83540EL
Small Molecules
Modified Residues  1 Unique
IDChains TypeFormula2D DiagramParent
PCA
Query on PCA
A, B
L-PEPTIDE LINKINGC5 H7 N O3GLN
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.20 Å
  • R-Value Free: 0.310 
  • R-Value Work: 0.232 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 44.85α = 90
b = 91.81β = 110.34
c = 44.91γ = 90
Software Package:
Software NamePurpose
MADNESSdata collection
X-PLORmodel building
X-PLORrefinement
MADNESSdata reduction
X-PLORphasing

Structure Validation

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Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2002-04-03
    Type: Initial release
  • Version 1.1: 2008-04-27
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Derived calculations, Version format compliance
  • Version 2.0: 2019-12-25
    Changes: Data collection, Derived calculations, Polymer sequence, Refinement description
  • Version 3.0: 2020-07-29
    Type: Remediation
    Reason: Carbohydrate remediation
    Changes: Atomic model, Data collection, Derived calculations, Structure summary
  • Version 3.1: 2024-04-03
    Changes: Data collection, Database references, Derived calculations, Refinement description, Structure summary