Structure of PDB 7znr Chain B Binding Site BS03

Receptor Information

>7znr Chain B (length=487) Species: 818 (Bacteroides thetaiotaomicron)

TATYFQSSDEHGFSMYYKPQVGFVGNPMPFYDPVAKDFKVMYLQDYRPNP
EATYHPIFGVATKDGATYESLGELISCGGRDEQDAAIGTGGTIYNPADKL
YYTFYTGNKFKPSSDQNAQVVMVATSPDFKTWTKNRTFYLKGDTYGYDKN
DFRDPFLFQTEDGVYHMLIATRKNGKGHIAEFTSADLKEWESAGTFMTMM
WDRFYECPDVFKMGDWWYLIYSEQASFMRKVQYFKGRTLEDLKATTANDA
GIWPDNREGMLDSRAFYAGKTASDGTNRYIWGWCPTRAGNDNGNVGDVEP
EWAGNLVAQRLIQHEDGTLTLGVPDAIDRKYTSAQEVKVMAKDGNMIESG
KTYTLGEGASVIFNRLKVHNKISFTVKTASNTDRFGISFVRGTDSASWYS
IHVNADEGKANFEKDGDDAKYLFDNKFNIPADNEYRVTIYSDQSVCVTYI
NDQLSFTNRIYQMQKNPWSLCCYKGEITVSDVQVSTY

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: 7znr Chain D Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7znr Outer membrane utilisomes mediate glycan uptake in gut Bacteroidetes.
• Resolution: 2.65 Å
• Binding residue (original residue number in PDB): N42 G104 T105 R169 D170 E222 W318
• Binding residue (residue number reindexed from 1): N26 G88 T89 R153 D154 E206 W302
• 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:7znr, PDBe:7znr, PDBj:7znr
• PDBsum: 7znr
• PubMed: 37286596
• UniProt: Q8A6W6