Structure of PDB 5nsl Chain B Binding Site BS05

Receptor Information

>5nsl Chain B (length=624) Species: 264483 (Phaffia rhodozyma)

CSLDQTVAPGNLTLCGNATLFTTFRPKARFIAPEGWMNAPMGLYQRADGS
IHAGYQSHPKHIQWGNISQGAAYSSDFTSWTDFNGSEGYKTIWPSQIYDI
RGVFDGSIIKEGIDGYPTILYTSTSFGPLGATLNEAEGTETQSLAYTTDD
GASWIKLGYGAGQNPVIYEWPETNLTGFRDPYVFQSPRLEALLANTTSIT
NATGDHFATISGGVHGDGARLFLYRQHTTGEFIKWTYLGPLVTTGYKESY
GEWSGNYGINFETAGVTRLNPAGAAWDNGSDTTAVDFVTFGTEQGRADHQ
NHWPLWAAVDYEVRDNGSIEAVIAYSGVQDWGRSYAYASFPVEGYRQVSV
GWIYEDDDNVILAKQFGYQGAFTLFRDLFVKVVENVSPSTPGLFEQASWS
TKNSTDGMSVTVTTLGQRVVPETLAAYKGNSTVSTLAPVMLNESAAAYTP
FSSQPTDRFYALTGSFEFGLNTTAKAGFRVLASEEEYTDIWFDPASENLT
VVRTASSLIKSFGNDTELAKVKLYEIVGAESKTLNLTVFVDGSVIEIYAN
DEVALSTRAYPWLANSTGAGLLADGTTAGDVVGVSGLELWDGLVDAWPAR
PANTSQGLVWDGPTAAMYGLFAGY

Ligand information

• Ligand ID: 975
• InChI: InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2
• InChIKey: JUUBCHWRXWPFFH-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: OCCc1ccc(O)c(O)c1
  OpenEye OEToolkits 2.0.6: c1cc(c(cc1CCO)O)O
• Formula: C8 H10 O3
• Name: 4-(2-hydroxyethyl)benzene-1,2-diol
• ChEMBL: CHEMBL1950045
• DrugBank: DB12771
• ZINC: ZINC000002379217
• PDB chain: 5nsl Chain B Residue 2004

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nsl Fructosylation of Hydroxytyrosol by the Beta-Fructofuranosidase from Xanthophyllomyces dendrorhous: Insights into the Molecular Basis of the Enzyme Specificity
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): I150 Y223 V224 F225 Q226 W317 P382
• Binding residue (residue number reindexed from 1): I109 Y182 V183 F184 Q185 W276 P341
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:5nsl, PDBe:5nsl, PDBj:5nsl
• PDBsum: 5nsl
• UniProt: J7HDY4