Structure of PDB 1o9i Chain E Binding Site BS01

Receptor Information

>1o9i Chain E (length=266) Species: 1590 (Lactiplantibacillus plantarum)

MFKHTRKLQYNAKPDRSDPIMARRLQESLGGQWGETTGMMSFLSQGWAST
GAEKYKDLLLDTGTEEMAHVEMISTMIGYLLEDAPFGPEDLKRDPSLATT
MAGMDPEHSLVHGLNASLNNPNGAAWNAGYVTSSGNLVADMRFNVVRESE
ARLQVSRLYSMTEDEGVRDMLKFLLARETQHQLQFMKAQEELEEKYGIIV
PGDMKEIEHSEFSHVLMNFSDGDGSKAFEGQVAKDGEKFTYQENPEAMGG
IPHIKPGDPRLHNHQG

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: 1o9i Chain D Residue 269

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1o9i Outer Sphere Mutagenesis of Lactobacillus Plantarum Manganese Catalase Disrupts the Cluster Core. Mechanistic Implications.
• Resolution: 1.33 Å
• Binding residue (original residue number in PDB): N218 S220 G222
• Binding residue (residue number reindexed from 1): N218 S220 G222
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): E35 E66 H69 E148 E178 H181
• Catalytic site (residue number reindexed from 1): E35 E66 H69 E148 E178 H181
• Enzyme Commision number: 1.11.1.6: catalase.

Gene Ontology

Molecular Function

• GO:0004096 catalase activity
• GO:0004601 peroxidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0098869 cellular oxidant detoxification

External links

• PDB: RCSB:1o9i, PDBe:1o9i, PDBj:1o9i
• PDBsum: 1o9i
• PubMed: 12631270
• UniProt: P60355|MCAT_LACPN Manganese catalase