3EIN

Delta class GST

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.13 Å
  • R-Value Free: 
    0.157 (Depositor), 0.160 (DCC) 
  • R-Value Work: 
    0.140 (Depositor), 0.150 (DCC) 
  • R-Value Observed: 
    0.141 (Depositor) 

wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted GSHClick on this verticalbar to view details

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


Literature

Probing insect detoxification systems

Feil, S.C., Low, W.Y., Ng, H.L., Pyke, J., Gooley, P., Parker, M.W., Robin, C., McConville, M., Batterham, P.

To be published.

Macromolecules
Find similar proteins by: 
(by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Glutathione S-transferase 1-1209Drosophila melanogasterMutation(s): 0 
Gene Names: GstD1, GST, Gst1, CG10045
EC: 2.5.1.18 (PDB Primary Data), 4.5.1.1 (UniProt)
UniProt
Find proteins for P20432 (Drosophila melanogaster)
Explore P20432 
Go to UniProtKB:  P20432
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP20432
Sequence Annotations
Expand
  • Reference Sequence
Small Molecules
Ligands 1 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
GSH
Query on GSH
Download Ideal Coordinates CCD File 
B [auth A]GLUTATHIONE
C10 H17 N3 O6 S
RWSXRVCMGQZWBV-WDSKDSINSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.13 Å
  • R-Value Free:  0.157 (Depositor), 0.160 (DCC) 
  • R-Value Work:  0.140 (Depositor), 0.150 (DCC) 
  • R-Value Observed: 0.141 (Depositor) 
Space Group: C 1 2 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 71.775α = 90
b = 63.212β = 129.84
c = 54.513γ = 90
Software Package:
Software NamePurpose
DENZOdata reduction
SCALEPACKdata scaling
REFMACrefinement
PDB_EXTRACTdata extraction
HKL-2000data collection
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 

Created with Raphaël 2.3.0Worse 01 BetterLigand structure goodness of fit to experimental dataBest fitted GSHClick on this verticalbar to view details

View more in-depth experimental data
Entry History 

Deposition Data

  • Released Date: 2009-09-01 
    • Deposition Author(s): Feil, S.C.

Revision History  (Full details and data files)

  • Version 1.0: 2009-09-01
    Type: Initial release
  • Version 1.1: 2011-07-13
    Changes: Version format compliance
  • Version 1.2: 2011-12-21
    Changes: Non-polymer description
  • Version 1.3: 2017-10-25
    Changes: Refinement description
  • Version 1.4: 2024-03-20
    Changes: Data collection, Database references, Derived calculations