Structure of PDB 2atj Chain B Binding Site BS04

Receptor Information
>2atj Chain B (length=308) Species: 3704 (Armoracia rusticana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQLTPTFYDNSCPNVSNIVRDTIVNELRSDPRIAASILRLHFHDCFVNGC
DASILLDNTTSFRTEKDAFGNANSARGFPVIDRMKAAVESACPRTVSCAD
LLTIAAQQSVTLAGGPSWRVPLGRRDSLQAFLDLANANLPAPFFTLPQLK
DSFRNVGLNRSSDLVALSGGHTFGKNQCRFIMDRLYNFSNTGLPDPTLNT
TYLQTLRGLCPLNGNLSALVDFDLRTPTIFDNKYYVNLEEQKGLIQSDQE
LFSSPNATDTIPLVRSFANSTQTFFNAFVEAMDRMGNITPLTGTQGQIRL
NCRVVNSN
Ligand information
Ligand IDBHO
InChIInChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)
InChIKeyVDEUYMSGMPQMIK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(NO)c1ccccc1
CACTVS 3.341ONC(=O)c1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)NO
FormulaC7 H7 N O2
NameBENZHYDROXAMIC ACID
ChEMBLCHEMBL16300
DrugBankDB01924
ZINCZINC000004701351
PDB chain2atj Chain B Residue 353 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2atj Structural interactions between horseradish peroxidase C and the substrate benzhydroxamic acid determined by X-ray crystallography.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R38 F41 H42 F68 G69 P139 P141 F179
Binding residue
(residue number reindexed from 1)		R39 F42 H43 F69 G70 P140 P142 F180
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R38 H42 N70 H170
Catalytic site (residue number reindexed from 1) R39 H43 N71 H171
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:0005773 vacuole

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2atj, PDBe:2atj, PDBj:2atj
PDBsum2atj
PubMed9609699
UniProtP00433|PER1A_ARMRU Peroxidase C1A (Gene Name=PRXC1A)

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