Structure of PDB 1pa2 Chain A Binding Site BS02

Receptor Information

>1pa2 Chain A (length=306) Species: 3702 (Arabidopsis thaliana)

MQLNATFYSGTCPNASAIVRSTIQQALQSDTRIGASLIRLHFHDCFVNGC
DASILLDDTGSIQSEKNAGPNVNSARGFNVVDNIKTALENACPGVVSCSD
VLALASEASVSLAGGPSWTVLLGRRDSLTANLAGANSSIPSPIESLSNIT
FKFSAVGLNTNDLVALSGAHTFGRARCGVFNNRLFNFSGTGNPDPTLNST
LLSTLQQLCPQNGSASTITNLDLSTPDAFDNNYFANLQSNDGLLQSDQEL
FSTTGSSTIAIVTSFASNQTLFFQAFAQSMINMGNISPLTGSNGEIRLDC
KKVNGS

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: 1pa2 Chain A Residue 308

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1pa2 Arabidopsis ATP A2 peroxidase. Expression and high-resolution structure of a plant peroxidase with implications for lignification.
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): T170 D221 T224 A227 D229
• Binding residue (residue number reindexed from 1): T171 D222 T225 A228 D230
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R38 H42 N70 H169
• Catalytic site (residue number reindexed from 1): R39 H43 N71 H170
• 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:0002215 defense response to nematode
• GO:0006979 response to oxidative stress
• GO:0009908 flower development
• GO:0042744 hydrogen peroxide catabolic process
• GO:0098869 cellular oxidant detoxification

Cellular Component

• GO:0005576 extracellular region
• GO:0005794 Golgi apparatus

External links

• PDB: RCSB:1pa2, PDBe:1pa2, PDBj:1pa2
• PDBsum: 1pa2
• PubMed: 11117266
• UniProt: Q42578|PER53_ARATH Peroxidase 53 (Gene Name=PER53)