Structure of PDB 6yjw Chain B Binding Site BS03

Receptor Information
>6yjw Chain B (length=353) Species: 3747 (Fragaria x ananassa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVSDEEANLFAMQLASASVLPMVLKAAIELDLLEIMAKAGPGSFLSPSDL
ASQLPTKNPEAPVMLDRMLRLLASYSILTCSLRTLPDGKVERLYCLGPVC
KFLTKNEDGVSIAALCLMNQDKVLVESWYHLKDAVLDGGIPFNKAYGMTA
FDYHGTDPRFNKVFNKGMADHSTITMKKILETYKGFEGLKSIVDVGGGTG
AVVNMIVSKYPSIKGINFDLPHVIEDAPQYPGVQHVGGDMFVSVPKGNAI
FMKWICHDWSDEHCIKFLKNCYAALPDDGKVILAECILPVAPDTSLATKG
VVHMDVIMLAHNPGGKERTEQEFEALAKGSGFQGIRVCCDAFNTYVIEFL
KKI
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain6yjw Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6yjw Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		M130 L136 F176
Binding residue
(residue number reindexed from 1)		M118 L124 F164
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.68: caffeate O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0046983 protein dimerization activity
Biological Process
GO:0009809 lignin biosynthetic process
GO:0032259 methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6yjw, PDBe:6yjw, PDBj:6yjw
PDBsum6yjw
PubMed32627748
UniProtQ9M602

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