Structure of PDB 1qgj Chain A Binding Site BS04
Receptor Information
>1qgj Chain A (length=300) Species:
3702
(Arabidopsis thaliana) [
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QLSPDIYAKSCPNLVQIVRKQVAIALKAEIRMAASLIRLHFHDCFVNGCD
ASLLLDGADSEKLAIPNINSARGFEVIDTIKAAVENACPGVVSCADILTL
AARDSVVLSGGPGWRVALGRKDGLVANQNSANNLPSPFEPLDAIIAKFVA
VNLNITDVVALSGAHTFGQAKCAVFSNRLFNFTGAGNPDATLETSLLSNL
QTVCPLGGNSNITAPLDRSTTDTFDNNYFKNLLEGKGLLSSDQILFSSDL
AVNTTKKLVEAYSRSQSLFFRDFTCAMIRMGNISNGASGEVRTNCRVINN
Ligand information
Ligand ID
GSH
InChI
InChI=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
InChIKey
RWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370
N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
Formula
C10 H17 N3 O6 S
Name
GLUTATHIONE
ChEMBL
CHEMBL1543
DrugBank
DB00143
ZINC
ZINC000003830891
PDB chain
1qgj Chain A Residue 1794 [
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Receptor-Ligand Complex Structure
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PDB
1qgj
Arabidopsis thaliana peroxidase N: structure of a novel neutral peroxidase.
Resolution
1.9 Å
Binding residue
(original residue number in PDB)
N154 T156 C275 A276 R279
Binding residue
(residue number reindexed from 1)
N154 T156 C275 A276 R279
Annotation score
1
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
PDBsum
1qgj
PubMed
10713531
UniProt
Q39034
|PER59_ARATH Peroxidase 59 (Gene Name=PER59)
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