Structure of PDB 1bgp Chain A Binding Site BS01

Receptor Information

>1bgp Chain A (length=309) Species: 4513 (Hordeum vulgare)

AEPPVAPGLSFDFYWQTCPRAESIVREFVQEAVRKDIGLAAGLLRLHFHD
CFVQGCDASVLLDGSATGPGEQQAPPNLTLRPSAFKAVNDIRDRLERECR
GAVVSCSDILALAARDSVVVSGGPDYRVPLGRRDSRSFASTQDVLSDLPG
PSSNVQSLLALLGRLGLDATDLVTISGGHTIGLAHCSSFEDRLFPRPDPT
ISPTFLSRLKRTCPAKGTDRRTVLDVRTPNVFDNKYYIDLVNREGLFVSD
QDLFTNAITRPIVERFAQSQQDFFEQFGVSIGKMGQMRVRTSDQGEVRRN
CSVRNPGPG

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: 1bgp Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1bgp Structure of barley grain peroxidase refined at 1.9-A resolution. A plant peroxidase reversibly inactivated at neutral pH.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): T180 D225 T228 V231 D233
• Binding residue (residue number reindexed from 1): T180 D225 T228 V231 D233
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R45 H49 N77 H179 D250
• Catalytic site (residue number reindexed from 1): R45 H49 N77 H179 D250
• 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:1bgp, PDBe:1bgp, PDBj:1bgp
• PDBsum: 1bgp
• PubMed: 9442067
• UniProt: Q40069