Structure of PDB 1qgj Chain B Binding Site BS04

Receptor Information
>1qgj Chain B (length=300) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLSPDIYAKSCPNLVQIVRKQVAIALKAEIRMAASLIRLHFHDCFVNGCD
ASLLLDGADSEKLAIPNINSARGFEVIDTIKAAVENACPGVVSCADILTL
AARDSVVLSGGPGWRVALGRKDGLVANQNSANNLPSPFEPLDAIIAKFVA
VNLNITDVVALSGAHTFGQAKCAVFSNRLFNFTGAGNPDATLETSLLSNL
QTVCPLGGNSNITAPLDRSTTDTFDNNYFKNLLEGKGLLSSDQILFSSDL
AVNTTKKLVEAYSRSQSLFFRDFTCAMIRMGNISNGASGEVRTNCRVINN
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 chain1qgj Chain B Residue 1794 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qgj Arabidopsis thaliana peroxidase N: structure of a novel neutral peroxidase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T156 C275 A276 R279
Binding residue
(residue number reindexed from 1)		T156 C275 A276 R279
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R38 H42 N67 H165
Catalytic site (residue number reindexed from 1) R38 H42 N67 H165
Enzyme Commision number 1.11.1.7: peroxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0140825 lactoperoxidase activity
Biological Process
GO:0006979 response to oxidative stress
GO:0042744 hydrogen peroxide catabolic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1qgj, PDBe:1qgj, PDBj:1qgj
PDBsum1qgj
PubMed10713531
UniProtQ39034|PER59_ARATH Peroxidase 59 (Gene Name=PER59)

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