Structure of PDB 6r3u Chain A Binding Site BS03

Receptor Information
>6r3u Chain A (length=495) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGTATYFQSSDEHGFSMYYKPQVGFVGDPMPFYDPVAKDFKVMYLQDYRP
NPEATYHPIFGVATKDGATYESLGELISCGGRDEQDAAIGTGGTIYNPAD
KLYYTFYTGNKFKPSSDQNAQVVMVATSPDFKTWTKNRTFYLKGDTYGYD
KNDFRDPFLFQTEDGVYHMLIATRKNGKGHIAEFTSADLKEWESAGTFMT
MMWDRFYACPDVFKMGDWWYLIYSEQASFMRKVQYFKGRTLEDLKATTAN
DAGIWPDNREGMLDSRAFYAGKTASDGTNRYIWGWCPTRAGNDNGNVGDV
EPEWAGNLVAQRLIQHEDGTLTLGVPDAIDRKYTSAQEVKVMAKDGNMIE
SGKTYTLGEGASVIFNRLKVHNKISFTVKTASNTDRFGISFVRGTDSASW
YSIHVNADEGKANFEKDGDDAKYLFDNKFNIPADNEYRVTIYSDQSVCVT
YINDQLSFTNRIYQMQKNPWSLCCYKGEITVSDVQVSTYHHHHHH
Ligand information
Ligand IDFRU
InChIInChI=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
InChIKeyRFSUNEUAIZKAJO-ARQDHWQXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
CACTVS 3.341OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.341OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
FormulaC6 H12 O6
Namebeta-D-fructofuranose;
beta-D-fructose;
D-fructose;
fructose
ChEMBLCHEMBL604608
DrugBank
ZINCZINC000001529270
PDB chain6r3u Chain B Residue 3 [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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PDB6r3u First crystal structure of an endo-levanase - the BT1760 from a human gut commensal Bacteroides thetaiotaomicron.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H70 I102
Binding residue
(residue number reindexed from 1)		H57 I89
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.26: beta-fructofuranosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6r3u, PDBe:6r3u, PDBj:6r3u
PDBsum6r3u
PubMed31186460
UniProtQ8A6W6

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