Structure of PDB 8re2 Chain A Binding Site BS03

Receptor Information

>8re2 Chain A (length=442) Species: 1299 (Deinococcus radiodurans)

KIDLDLDDIQATVLRERPEPYYGTHAMVRFDTAEGGRELLKRLLPHIASA
EKWWDVKYAWTAAAISYEGLKKLGVPQDSLDSFPESFKVGMAGRAEHLFD
VGENDPKHWEKPFGTGQVHLALTIFAENEENWQKALVIAEHELEATKGVT
LLMREDFGAQPDSRNSLGYKDMISNPAIEGSGIKPFPGQGPAIKPGEFVL
GYPGEAGVPLGMPKPEVLGKNGTFVALRKYHTNAGSFNRYLKENAEYTGG
DAELLAAKLVGRWRSGAPLTLAPKEDDPELGHDPNRNNDFTYKNDPEGLE
VPLGSHIRRMNPRDTKLELLTDVNIHRIIRRATAYGPAYDPKADSLAEDK
VERGLYFIFISAKAMDTTEFLQKEWINKANFIGQGSERDPIVGLQDEDLT
FTLPKEPVRQRLRGMDTFNVLRGGEYLFMPSLSALKWLSELK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 8re2 Chain A Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8re2 Biochemical, Biophysical, and Structural Analysis of an Unusual DyP from the Extremophile Deinococcus radiodurans.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): Y357 D358 E366 R371
• Binding residue (residue number reindexed from 1): Y339 D340 E348 R353
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0004601 peroxidase activity
• GO:0020037 heme binding
• GO:0046872 metal ion binding

Biological Process

• GO:0098869 cellular oxidant detoxification

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:8re2, PDBe:8re2, PDBj:8re2
• PDBsum: 8re2
• PubMed: 38257271
• UniProt: Q9RZ08