Structure of PDB 6fwq Chain A Binding Site BS01

Receptor Information
>6fwq Chain A (length=342) Species: 657309 (Bacteroides xylanisolvens XB1A) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTELDYDTFCFYYDWYGSEAIDGQYRHWAHAIAPDPNQNPGTIPGTQESI
ASNFYPQLGRYSSSDPNILTKHMDMFVMARTGVLALTWWNEQDETEAKRI
GLILDAADKKKIKVCFHLEPYPSRNVQNLRENIVKLITRYGNHPAFYRKD
GKPLFFIYDSYLIEPSEWEKLLSPGGSITIRNTAYDALMIGLWTSSPTVQ
RPFILNAHFDGFYTYFAATGFTYGSTPTNWVSMQKWAKENGKIFIPSVGP
GYIDTRIRPWNGSVIRTRTDGQYYDAMYRKAIEAGVSAISITSFNQWHEG
SQIEPAVPYTSSEFTYLDYENREPDYYLTRTAYWVGKFRESK
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 chain6fwq Chain B Residue 1 [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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PDB6fwq An Epoxide Intermediate in Glycosidase Catalysis.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y46 W126 H154 E156 Y195 Y252 Q333 E336
Binding residue
(residue number reindexed from 1)		Y13 W89 H117 E119 Y158 Y215 Q296 E299
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004559 alpha-mannosidase activity
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6fwq, PDBe:6fwq, PDBj:6fwq
PDBsum6fwq
PubMed32490192
UniProtD6D1V7

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