Structure of PDB 1qgj Chain B Binding Site BS03

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 IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1qgj Chain B Residue 1350 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		R31 A34 S35 R38 F41 S70 P135 S136 P137 A164 H165 G168 Q169 A170 K171 L216 L239 S241
Binding residue
(residue number reindexed from 1)		R31 A34 S35 R38 F41 S70 P135 S136 P137 A164 H165 G168 Q169 A170 K171 L216 L239 S241
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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