Structure of PDB 5j3r Chain A Binding Site BS02

Receptor Information
>5j3r Chain A (length=114) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFNVQKEYSLILDLSPIIIFSKSTCSYSKGMKELLENEYQFIPNYYIIEL
DKHGHGEELQEYIKLVTGRGTVPNLLVNGVSRGGNEEIKKLHTQGKLLES
LQVWSDGKFSVEQR
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 chain5j3r Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5j3r Crystal structure of yeast monothiol glutaredoxin Grx6 in complex with a glutathione-coordinated [2Fe-2S] cluster
Resolution2.46 Å
Binding residue
(original residue number in PDB)		K133 T182 V183 G195 N196 E197
Binding residue
(residue number reindexed from 1)		K22 T71 V72 G84 N85 E86
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004362 glutathione-disulfide reductase (NADPH) activity
GO:0005506 iron ion binding
GO:0015038 glutathione disulfide oxidoreductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0006879 intracellular iron ion homeostasis
GO:0016226 iron-sulfur cluster assembly
GO:0034599 cellular response to oxidative stress
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0000324 fungal-type vacuole
GO:0005737 cytoplasm
GO:0005773 vacuole
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0005796 Golgi lumen
GO:0005801 cis-Golgi network
GO:0016020 membrane
GO:1990229 iron-sulfur cluster assembly complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5j3r, PDBe:5j3r, PDBj:5j3r
PDBsum5j3r
PubMed27710937
UniProtQ12438|GLRX6_YEAST Monothiol glutaredoxin-6 (Gene Name=GRX6)

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