Structure of PDB 4a5g Chain B Binding Site BS03

Receptor Information

>4a5g Chain B (length=307) Species: 3726 (Raphanus sativus)

GGSLNATFYAGTCPNASAMVRTIVQQAFQSDSRIGASLIRLHFHDCFVLG
CDASILLDNSGSIISEKNAGPNANSARGFNVVDNIKTALENACPGVVSCT
DVLALASQASVSLSGGPSWTVDLGRRDTLTANQAGANSSIPSPTQGLSNI
TSKFSAVGLNTNDLVALSGAHTFGRATCGVFSNRLFNFSGKGNPDPTLNT
TLLSTLQELCPQKGRGSGSTNLDLSTPDAFDNNYFTNLQSNNGLLQSDQE
LFSTTGSATIAIVTSFASNQTLFFQAFAQSMINMGNISPLTGSSGEIRLD
CKKTNGS

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: 4a5g Chain B Residue 1308

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4a5g Crystallographic Structure of the Raphanus Sativus Anionic Peroxidase
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): T172 D223 T226 A229 D231
• Binding residue (residue number reindexed from 1): T172 D223 T226 A229 D231
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R40 H44 N72 H171 D248
• Catalytic site (residue number reindexed from 1): R40 H44 N72 H171 D248
• 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

External links

• PDB: RCSB:4a5g, PDBe:4a5g, PDBj:4a5g
• PDBsum: 4a5g
• UniProt: K7N5L9