Structure of PDB 3vxi Chain A Binding Site BS02

Receptor Information

>3vxi Chain A (length=438) Species: 5331 (Bjerkandera adusta)

ILPLNNIQGDILVGMKKQKERFVFFQVNDATSFKTALKTYVPERITSAAI
LISDPSQQPLAFVNLGFSNTGLQALGITDDLGDAQFPDGQFADAANLGDD
LSQWVAPFTGTTIHGVFLIGSDQDDFLDQFTDDISSTFGSSITQVQALSG
SARPGDQAGHEHFGFLDGISQPSVTGWETTVFPGQAVVPPGIILTGRDGD
TGTRPSWALDGSFMAFRHFQQKVPEFNAYTLANAIPANSAGNLTQQEGAE
FLGARMFGRWKSGAPIDLAPTADDPALGADPQRNNNFDYSDTLTDETRCP
FGAHVRKTNPRQDLGGPVDTFHAMRSSIPYGPETSDAELASGVTAQDRGL
LFVEYQSIIGNGFRFQQINWANNANFPFSKPITPGIEPIIGQTTPRTVGG
LDPLNQNETFTVPLFVIPKGGEYFFLPSISALTATIAA

Ligand information

• Ligand ID: ASC
• InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
• InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N
• SMILES:
  CACTVS 3.341: OC[CH](O)[CH]1OC(=O)C(=C1O)O
  OpenEye OEToolkits 1.5.0: C(C(C1C(=C(C(=O)O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
  CACTVS 3.341: OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
  ACDLabs 10.04: O=C1OC(C(O)=C1O)C(O)CO
• Formula: C6 H8 O6
• Name: ASCORBIC ACID;
  Vitamin C
• ChEMBL: CHEMBL196
• DrugBank: DB00126
• ZINC: ZINC000100006770
• PDB chain: 3vxi Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vxi Dye-decolorizing peroxidase (DyP) complex with ascorbic acid
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): A190 N313 R315 P321 H326
• Binding residue (residue number reindexed from 1): A186 N309 R311 P317 H322
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.11.1.19: dye decolorizing peroxidase.

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:3vxi, PDBe:3vxi, PDBj:3vxi
• PDBsum: 3vxi
• UniProt: Q8WZK8