Structure of PDB 2atj Chain B Binding Site BS01

Receptor Information

>2atj Chain B (length=308) Species: 3704 (Armoracia rusticana)

MQLTPTFYDNSCPNVSNIVRDTIVNELRSDPRIAASILRLHFHDCFVNGC
DASILLDNTTSFRTEKDAFGNANSARGFPVIDRMKAAVESACPRTVSCAD
LLTIAAQQSVTLAGGPSWRVPLGRRDSLQAFLDLANANLPAPFFTLPQLK
DSFRNVGLNRSSDLVALSGGHTFGKNQCRFIMDRLYNFSNTGLPDPTLNT
TYLQTLRGLCPLNGNLSALVDFDLRTPTIFDNKYYVNLEEQKGLIQSDQE
LFSSPNATDTIPLVRSFANSTQTFFNAFVEAMDRMGNITPLTGTQGQIRL
NCRVVNSN

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2atj Chain B Residue 351

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2atj Structural interactions between horseradish peroxidase C and the substrate benzhydroxamic acid determined by X-ray crystallography.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): T171 D222 T225 I228 D230
• Binding residue (residue number reindexed from 1): T172 D223 T226 I229 D231
• Annotation score: 1

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

External links

• PDB: RCSB:2atj, PDBe:2atj, PDBj:2atj
• PDBsum: 2atj
• PubMed: 9609699
• UniProt: P00433|PER1A_ARMRU Peroxidase C1A (Gene Name=PRXC1A)