Structure of PDB 8u48 Chain B Binding Site BS04

Receptor Information
>8u48 Chain B (length=264) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGIKNIVYIEVNDINPLNAGSYIMDDAPFFDYVILFAANIRGVGSDATLY
NNPNVQYILDHKDTLIKPLQDKGIKVLLGLLGDHTGLGFANMNSAQTEQF
ATAVANAVSQYGLDGVDFADAWAEYGRNGYPSGSTGSFSNLITALHNKMP
GKTITVFNYGYTSELTGVNSYIDYGIYAFFNSPSWSTGFGMPNSKFAPYT
INLNSAPSAASAQLYSGQVASKGYGAIGYYDLRANNIVSVLNGVAKGAFK
STCTYDGNSYPKNY
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain8u48 Chain C Residue 8 [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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PDB8u48 Human gut microbes express functionally distinct endoglycosidases to metabolize the same N-glycan substrate
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E52 N54 A79 N81 N94
Binding residue
(residue number reindexed from 1)		E10 N12 A37 N39 N52
Annotation score4
Enzymatic activity
Enzyme Commision number ?
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

View graph for
Molecular Function
External links
PDB RCSB:8u48, PDBe:8u48, PDBj:8u48
PDBsum8u48
PubMed38879612
UniProtQ8A889

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