Structure of PDB 3q3u Chain A Binding Site BS03

Receptor Information

>3q3u Chain A (length=338)

MVSCGGGRSVKNAACCAWFPVLDDIQANLFNGGKCEEEAHEAVRLTFHDA
VGFSLAAQKAGKFGGGGADGSILAFSDIETAFIPNFGLEFTTEGFIPFAL
AHGVSFGDFVQFAGAVGAANCAGGPRLQFLAGRSNISQPSPDGLVPDPTD
SADKILARMADIGFSPTEVVHLLASHSIAAQYEVDTDVAGSPFDSTPSVF
DTQFFVESLLHGTQFTGSGQGGEVMSPIPGEFRLQSDFALSRDPRTACEW
QALVNNQQAMVNNFEAVMSRLAVIGQIPSELVDCSDVIPTPPLAKVAQVG
SLPPGKSMADVQVACTNGMPFPSLPTSPGPVQTVAPVL

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: 3q3u Chain A Residue 341

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3q3u Crystallographic, kinetic, and spectroscopic study of the first ligninolytic peroxidase presenting a catalytic tyrosine.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): S176 D193 T195 V198 D200
• Binding residue (residue number reindexed from 1): S177 D194 T196 V199 D201
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 1.11.1.-

Gene Ontology

Molecular Function

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

Biological Process

• GO:0000302 response to reactive oxygen species
• GO:0006979 response to oxidative stress
• GO:0034599 cellular response to oxidative stress
• GO:0042744 hydrogen peroxide catabolic process
• GO:0046274 lignin catabolic process
• GO:0098869 cellular oxidant detoxification

External links

• PDB: RCSB:3q3u, PDBe:3q3u, PDBj:3q3u
• PDBsum: 3q3u
• PubMed: 21367853
• UniProt: Q60FD2