6B4X

Schistosoma mansoni (Blood Fluke) Sulfotransferase, F39Y Mutant

  • Classification: TRANSFERASE
  • Organism(s): Schistosoma mansoni
  • Expression System: Escherichia coli BL21
  • Mutation(s): Yes 

  • Deposited: 2017-09-27 Released: 2018-10-10 
  • Deposition Author(s): Taylor, A.B.
  • Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.46 Å
  • R-Value Free: 0.191 
  • R-Value Work: 0.150 
  • R-Value Observed: 0.152 

Starting Model: experimental
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wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.4 of the entry. See complete history. 


Literature

Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?

Rugel, A.R., Guzman, M.A., Taylor, A.B., Chevalier, F.D., Tarpley, R.S., McHardy, S.F., Cao, X., Holloway, S.P., Anderson, T.J.C., Hart, P.J., LoVerde, P.T.

(2020) Int J Parasitol 


Macromolecules
Find similar proteins by: 
(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Sulfotransferase oxamniquine resistance protein259Schistosoma mansoniMutation(s): 1 
Gene Names: SULT-OR, Smp_089320
EC: 2.8.2
UniProt
Find proteins for G4VLE5 (Schistosoma mansoni)
Explore G4VLE5 
Go to UniProtKB:  G4VLE5
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupG4VLE5
Sequence Annotations
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  • Reference Sequence
Small Molecules
Modified Residues  1 Unique
IDChains TypeFormula2D DiagramParent
CAS
Query on CAS
A
L-PEPTIDE LINKINGC5 H12 As N O2 SCYS
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.46 Å
  • R-Value Free: 0.191 
  • R-Value Work: 0.150 
  • R-Value Observed: 0.152 
  • Space Group: P 21 21 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 139.726α = 90
b = 39.514β = 90
c = 53.784γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
XDSdata reduction
XDSdata scaling
PHASERphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


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Entry History & Funding Information

Deposition Data

  • Released Date: 2018-10-10 
    • Deposition Author(s): Taylor, A.B.
Funding OrganizationLocationGrant Number
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)United StatesR01AI115691

Revision History  (Full details and data files)

  • Version 1.0: 2018-10-10
    Type: Initial release
  • Version 1.1: 2019-12-11
    Changes: Author supporting evidence, Structure summary
  • Version 1.2: 2020-04-22
    Changes: Database references
  • Version 1.3: 2023-10-04
    Changes: Data collection, Database references, Derived calculations, Refinement description
  • Version 1.4: 2024-10-30
    Changes: Structure summary