Structure of PDB 8qxy Chain B Binding Site BS01

Receptor Information
>8qxy Chain B (length=185) Species: 74308 (Niallia circulans subsp. circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRT
INYNAGVWAPNGNGYLTLYGWTRSPLIQYYVVDSWGTYRPTGTYKGTVKS
DGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATITFTNHV
NAWKSHGMNLGSNWAYQVMATEGYQSSGSSNVTVW
Ligand information
Ligand IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain8qxy Chain E 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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PDB8qxy Bimodal substrate binding in the active site of the glycosidase BcX.
Resolution1.41 Å
Binding residue
(original residue number in PDB)		W9 N35 Y69 W71 Q78 R112 P116 F125
Binding residue
(residue number reindexed from 1)		W9 N35 Y69 W71 Q78 R112 P116 F125
Annotation score4
External links
PDB RCSB:8qxy, PDBe:8qxy, PDBj:8qxy
PDBsum8qxy
PubMed39185686
UniProtP09850|XYNA_NIACI Endo-1,4-beta-xylanase (Gene Name=xlnA)

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