Structure of PDB 6r3u Chain A Binding Site BS02

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 2 [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)		D41 T104 R168 D169 W317
Binding residue
(residue number reindexed from 1)		D28 T91 R155 D156 W304
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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