Structure of PDB 8qy0 Chain A Binding Site BS05

Receptor Information

>8qy0 Chain A (length=185) Species: 74308 (Niallia circulans subsp. circulans)

ASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRT
INYNAGVWAPNGNGYLTLAGWTRSPLIQYYVVDSWGTYRPTGTYKGTVKS
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:
  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
• ZINC: ZINC000001529215
• PDB chain: 8qy0 Chain G Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8qy0 Bimodal substrate binding in the active site of the glycosidase BcX.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): N54 G56 N181 T183
• Binding residue (residue number reindexed from 1): N54 G56 N181 T183
• Annotation score: 4

External links

• PDB: RCSB:8qy0, PDBe:8qy0, PDBj:8qy0
• PDBsum: 8qy0
• PubMed: 39185686
• UniProt: P09850|XYNA_NIACI Endo-1,4-beta-xylanase (Gene Name=xlnA)