Structure of PDB 8tde Chain A Binding Site BS01

Receptor Information

>8tde Chain A (length=256) Species: 818 (Bacteroides thetaiotaomicron)

ANEVAVSYSKSLKAAEMDSLQLPVDADGYITIFDGKTFNGWRGYGKDRVP
SKWTIEDGCIKFNGSGGGEAQDGDGGDLIFAHKFKNFELEMEWKVSKGGN
SGIFYLAQEVTSKDKDGNDVLEPIYISAPEYQVLDNDNHPDAKLGKDNNR
QSASLYDMIPAVPQNAKPFGEWNKAKIMVYKGTVVHGQNDENVLEYHLWT
KQWTDLLQASKFSQDKWPLAFELLNNCGGENHEGFIGMQDHGDDVWFRNI
RVKVLD

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: 8tde Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8tde An alternative broad-specificity pathway for glycan breakdown in bacteria
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): E103 Y159 E164 Y190 K245 Q273 H275
• Binding residue (residue number reindexed from 1): E69 Y125 E130 Y156 K211 Q239 H241
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity

External links

• PDB: RCSB:8tde, PDBe:8tde, PDBj:8tde
• PDBsum: 8tde
• PubMed: 38898276
• UniProt: Q8A5T1