Structure of PDB 8qxy Chain B Binding Site BS02
Receptor Information
>8qxy Chain B (length=185) Species:
74308
(Niallia circulans subsp. circulans) [
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ASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRT
INYNAGVWAPNGNGYLTLYGWTRSPLIQYYVVDSWGTYRPTGTYKGTVKS
DGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATITFTNHV
NAWKSHGMNLGSNWAYQVMATEGYQSSGSSNVTVW
Ligand information
Ligand ID
XYP
InChI
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKey
SRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341
O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0
C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341
O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04
OC1C(O)COC(O)C1O
Formula
C5 H10 O5
Name
beta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINC
ZINC000001529215
PDB chain
8qxy Chain E Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
8qxy
Bimodal substrate binding in the active site of the glycosidase BcX.
Resolution
1.41 Å
Binding residue
(original residue number in PDB)
Q7 W9 Y69 S117 Y166
Binding residue
(residue number reindexed from 1)
Q7 W9 Y69 S117 Y166
Annotation score
4
External links
PDB
RCSB:8qxy
,
PDBe:8qxy
,
PDBj:8qxy
PDBsum
8qxy
PubMed
39185686
UniProt
P09850
|XYNA_NIACI Endo-1,4-beta-xylanase (Gene Name=xlnA)
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