Structure of PDB 6yjw Chain B Binding Site BS02

Receptor Information

>6yjw Chain B (length=353) Species: 3747 (Fragaria x ananassa)

AVSDEEANLFAMQLASASVLPMVLKAAIELDLLEIMAKAGPGSFLSPSDL
ASQLPTKNPEAPVMLDRMLRLLASYSILTCSLRTLPDGKVERLYCLGPVC
KFLTKNEDGVSIAALCLMNQDKVLVESWYHLKDAVLDGGIPFNKAYGMTA
FDYHGTDPRFNKVFNKGMADHSTITMKKILETYKGFEGLKSIVDVGGGTG
AVVNMIVSKYPSIKGINFDLPHVIEDAPQYPGVQHVGGDMFVSVPKGNAI
FMKWICHDWSDEHCIKFLKNCYAALPDDGKVILAECILPVAPDTSLATKG
VVHMDVIMLAHNPGGKERTEQEFEALAKGSGFQGIRVCCDAFNTYVIEFL
KKI

Ligand information

• Ligand ID: EDO
• InChI: InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
• InChIKey: LYCAIKOWRPUZTN-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341: OCCO
  OpenEye OEToolkits 1.5.0: C(CO)O
• Formula: C2 H6 O2
• Name: 1,2-ETHANEDIOL;
  ETHYLENE GLYCOL
• ChEMBL: CHEMBL457299
• ZINC: ZINC000005224354
• PDB chain: 6yjw Chain B Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yjw Proline/alanine-rich sequence (PAS) polypeptides as an alternative to PEG precipitants for protein crystallization.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): K37 D133 K134
• Binding residue (residue number reindexed from 1): K25 D121 K122
• Annotation score: 1

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

External links

• PDB: RCSB:6yjw, PDBe:6yjw, PDBj:6yjw
• PDBsum: 6yjw
• PubMed: 32627748
• UniProt: Q9M602