Structure of PDB 8aa2 Chain E Binding Site BS01

Receptor Information

>8aa2 Chain E (length=497) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482)

PILTQKNWDGTATYFQSSDEHGFSMYYKPQVGFVGAPMPFYDPVAKDFKV
MYLQDYRPNPEATYHPIFGVATKDGATYESLGELISCGGRDEQDAAIGTG
GTIYNPADKLYYTFYTGNKFKPSSDQNAQVVMVATSPDFKTWTKNRTFYL
KGDTYGYDKNDFRDPFLFQTEDGVYHMLIATRKNGKGHIAEFTSADLKEW
ESAGTFMTMMWDRFYECPDVFKMGDWWYLIYSEQASFMRKVQYFKGRTLE
DLKATTANDAGIWPDNREGMLDSRAFYAGKTASDGTNRYIWGWCPTRAGN
DNGNVGDVEPEWAGNLVAQRLIQHEDGTLTLGVPDAIDRKYTSAQEVKVM
AKDGNMIESGKTYTLGEGASVIFNRLKVHNKISFTVKTASNTDRFGISFV
RGTDSASWYSIHVNADEGKANFEKDGDDAKYLFDNKFNIPADNEYRVTIY
SDQSVCVTYINDQLSFTNRIYQMQKNPWSLCCYKGEITVSDVQVSTY

Ligand information

• Ligand ID: FRU
• InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(OC1(O)CO)CO
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  CACTVS 3.341: OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)O
  CACTVS 3.341: OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
• Formula: C6 H12 O6
• Name: beta-D-fructofuranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ChEMBL: CHEMBL604608
• ZINC: ZINC000001529270
• PDB chain: 8aa2 Chain H Residue 8

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8aa2 Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
• Resolution: 3.1 Å
• Binding residue (original residue number in PDB): W217 R219 F243
• Binding residue (residue number reindexed from 1): W211 R213 F237
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.26: beta-fructofuranosidase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:8aa2, PDBe:8aa2, PDBj:8aa2
• PDBsum: 8aa2
• PubMed: 37286596
• UniProt: Q8A6W6