Structure of PDB 4xqm Chain A Binding Site BS01

Receptor Information

>4xqm Chain A (length=94) Species: 284812 (Schizosaccharomyces pombe 972h-)

YRAIKGMETKREIGGYTYKVVFYENVFQDSILLGNFASQEGNVLKYENGQ
SCWNGPHRSAIVTVECGVENEIVSVLEAQKCEYLIKMKSPAACS

Ligand information

• Ligand ID: MAN
• InChI: InChI=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
• InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 4xqm Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xqm Crystal Structure and Functional Analyses of the Lectin Domain of Glucosidase II: Insights into Oligomannose Recognition.
• Resolution: 1.625 Å
• Binding residue (original residue number in PDB): Q384 R414 E433 Y439
• Binding residue (residue number reindexed from 1): Q28 R58 E77 Y83
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.84: glucan 1,3-alpha-glucosidase.

External links

• PDB: RCSB:4xqm, PDBe:4xqm, PDBj:4xqm
• PDBsum: 4xqm
• PubMed: 26062005
• UniProt: Q9USH8|GLU2B_SCHPO Glucosidase 2 subunit beta (Gene Name=gtb1)