1Y6E | pdb_00001y6e

Orthorhombic glutathione S-transferase of Schistosoma japonicum

PDB DOI: https://doi.org/10.2210/pdb1Y6E/pdb

Classification: TRANSFERASE
Organism(s): Schistosoma japonicum
Expression System: Spodoptera frugiperda
Mutation(s): No

Deposited: 2004-12-06 Released: 2005-03-08
Deposition Author(s): Rufer, A.C., Thiebach, L., Baer, K., Klein, H.W., Hennig, M.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 3.00 Å
R-Value Free:
0.279 (Depositor), 0.210 (DCC)
R-Value Work:
0.211 (Depositor), 0.210 (DCC)
R-Value Observed:
0.215 (Depositor)

wwPDB Validation 3D Report Full Report

This is version 1.3 of the entry. See complete history.

Literature

X-ray structure of glutathione S-transferase from Schistosoma japonicum in a new crystal form reveals flexibility of the substrate-binding site

Rufer, A.C., Thiebach, L., Baer, K., Klein, H.W., Hennig, M.

(2005) Acta Crystallogr Sect F Struct Biol Cryst Commun 61: 263-265

PubMed: 16511012 Search on PubMedSearch on PubMed Central
DOI: https://doi.org/10.1107/S1744309105004823
Primary Citation of Related Structures:
1Y6E

PubMed Abstract:
The crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum (SjGST) was determined at 3 A resolution in the new space group P2(1)2(1)2(1). The structure of orthorhombic SjGST reveals unique features of the ligand-binding site and dimer interface when compared with previously reported structures. SjGST is recognized as the major detoxification enzyme of S. japonicum, a pathogenic helminth causing schistosomiasis. As resistance against the established inhibitor of SjGST, praziquantel, has been reported these results might prove to be valuable for the development of novel drugs.

Organizational Affiliation

F. Hoffmann-La Roche AG, Pharma Research Discovery Chemistry, 4070 Basel, Switzerland. arne.rufer@roche.com

Macromolecule Content

Total Structure Weight: 52.14 kDa
Atom Count: 3,570
Modeled Residue Count: 432
Deposited Residue Count: 446
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
glutathione S-transferase	A, B	223	Schistosoma japonicum	Mutation(s): 0 EC: 2.5.1.18
UniProt
Find proteins for P08515 (Schistosoma japonicum) Explore P08515 Go to UniProtKB: P08515
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P08515
Sequence Annotations Expand
Reference Sequence

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 3.00 Å
R-Value Free: 0.279 (Depositor), 0.210 (DCC)
R-Value Work: 0.211 (Depositor), 0.210 (DCC)
R-Value Observed: 0.215 (Depositor)

Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 161.22	α = 90
b = 50.75	β = 90
c = 57.5	γ = 90

Software Package:

Software Name	Purpose
DENZO	data reduction
SCALEPACK	data scaling
MOLREP	phasing
CNS	refinement

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2005-03-08

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2005-03-08
Type: Initial release
Version 1.1: 2008-04-30
Changes: Version format compliance
Version 1.2: 2011-07-13
Changes: Version format compliance
Version 1.3: 2024-03-13
Changes: Data collection, Database references

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.