Structure of PDB 3vxj Chain A Binding Site BS03

Receptor Information
>3vxj Chain A (length=438) Species: 5331 (Bjerkandera adusta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ILPLNNIQGDILVGMKKQKERFVFFQVNDATSFKTALKTYVPERITSAAI
LISDPSQQPLAFVNLGFSNTGLQALGITDDLGDAQFPDGQFADAANLGDD
LSQWVAPFTGTTIHGVFLIGSDQDDFLDQFTDDISSTFGSSITQVQALSG
SARPGDQAGHEHFGFLDGISQPSVTGWETTVFPGQAVVPPGIILTGRDGD
TGTRPSWALDGSFMAFRHFQQKVPEFNAYTLANAIPANSAGNLTQQEGAE
FLGARMFGRWKSGAPIDLAPTADDPALGADPQRNNNFDYSDTLTDETRCP
FGAHVRKTNPRQDLGGPVDTFHAMRSSIPYGPETSDAELASGVTAQDRGL
LFVEYQSIIGNGFRFQQINWANNANFPFSKPITPGIEPIIGQTTPRTVGG
LDPLNQNETFTVPLFVIPKGGEYFFLPSISALTATIAA
Ligand information
Ligand ID3DM
InChIInChI=1S/C8H10O3/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,9H,1-2H3
InChIKeyKLIDCXVFHGNTTM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cccc(c1O)OC
CACTVS 3.341COc1cccc(OC)c1O
ACDLabs 10.04O(c1cccc(OC)c1O)C
FormulaC8 H10 O3
Name2,6-dimethoxyphenol
ChEMBLCHEMBL109652
DrugBank
ZINCZINC000000154666
PDB chain3vxj Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vxj Dye-decolorizing peroxidase (DyP) complex with 2,6-dimethoxyphenol
Resolution1.39 Å
Binding residue
(original residue number in PDB)		T298 S383 K384 P385
Binding residue
(residue number reindexed from 1)		T294 S379 K380 P381
Annotation score1
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3vxj, PDBe:3vxj, PDBj:3vxj
PDBsum3vxj
PubMed
UniProtQ8WZK8

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