Structure of PDB 7xoi Chain B Binding Site BS01

Receptor Information

>7xoi Chain B (length=436) Species: 927772 (Aspergillus sojae NBRC 4239)

SRRNLGAGHWKSPKGKVDPRAGWQNGKQTGSGCGPNECKGLPNRHLIRPP
YMIQNGAGPTLADSTADTDLVQSGGYVQYDTHNLYGAMMSSHSHNAMRAR
RPDDRALVITRSTFAGSGKDVSHWLGDNVSGWLWYQLSISQILQFASLYQ
IPVVGPDVCGFGGNVTETLCARWATLGSFYTFFRNHAEIYANPQEFYRWP
TVAQAARNGISIRYQLLDYIYTAIYKQNQTGTPALNPLFFNYPNDPNTYP
IDLQFFYGDGILVSPVTEENSTSVTFYLPDDIFYEWGTGKPVRGQGEYVS
LDNIDYTDITIHYKGGIVYPQRIESANTTTALRQKGFNIVVAPGLDGRAE
GSLYLDDGVSVVQDTVSEIDFVYENGKLTMTGSFEYEAGVGIETITVLGV
ESKPEGDEDVEYDAENKKLVKHVDVPLTGENEITIL

Ligand information

• Ligand ID: GLC
• 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-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](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
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-glucopyranose;
  alpha-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL423707
• ZINC: ZINC000003861213
• PDB chain: 7xoi Chain Q Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7xoi Structural basis for proteolytic processing of Aspergillus sojae alpha-glucosidase L with strong transglucosylation activity.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): R626 D642 F676
• Binding residue (residue number reindexed from 1): R111 D127 F161
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.20: alpha-glucosidase.
  3.2.1.21: beta-glucosidase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:7xoi, PDBe:7xoi, PDBj:7xoi
• PDBsum: 7xoi
• PubMed: 35688347
• UniProt: A0A5N6EXS6