Structure of PDB 1m0u Chain A Binding Site BS01

Receptor Information
>1m0u Chain A (length=203) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHSYTLFYFNVKALAEPLRYLFAYGNQEYEDVRVTRDEWPALKPTMPMGQ
MPVLEVDGKRVHQSISMARFLAKTVGLCGATPWEDLQIDIVVDTINDFRL
KIAVVSYEPEDEIKEKKLVTLNAEVIPFYLEKLEQTVKDNDGHLALGKLT
WADVYFAGITDYMNYMVKRDLLEPYPALRGVVDAVNALEPIKAWIEKRPV
TEV
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain1m0u Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1m0u Structure of a Drosophila Sigma Class Glutathione S-transferase Reveals a Novel Active Site Topography Suited for Lipid Peroxidation Products
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Y54 F55 L60 W85 Q96 M97 S110
Binding residue
(residue number reindexed from 1)		Y8 F9 L14 W39 Q50 M51 S64
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y54 L60 R65
Catalytic site (residue number reindexed from 1) Y8 L14 R19
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0004602 glutathione peroxidase activity
GO:0004667 prostaglandin-D synthase activity
GO:0016740 transferase activity
Biological Process
GO:0006749 glutathione metabolic process
GO:0009636 response to toxic substance
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005575 cellular_component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1m0u, PDBe:1m0u, PDBj:1m0u
PDBsum1m0u
PubMed12547198
UniProtP41043|GSTS1_DROME Glutathione S-transferase S1 (Gene Name=GstS1)

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