Structure of PDB 6hus Chain A Binding Site BS01

Receptor Information

>6hus Chain A (length=428) Species: 1682 (Bifidobacterium longum subsp. infantis)

KSDVTAQDVENALTDTSKNVELTVWAYSAKQMEPTVKAFEKKYPHIKINF
VNTGAAEDHFTKFQNVVQAQKDIPDVVQMSANKFQQFAVSGALLNFANDS
IEKAWSKLYTKTAWAQVHYAGGLYGAPQDATPLANYVRKDILDEHNLQVP
ESWEDIYNEGIKLHKEDSNKYMGILGSDISFFTNLYRSVGARLWKVNSVD
DVELTMNSGKAKEFTEFLQKCLKDGVLEGGTVFTDEFNRSINDGRYATFI
NENWMGNTYKEQNPSLKGKMVVAAPPSWKGQPYQSSSVGSMMSVSAACPK
EKQAAALAFINWLDSDKDAIQSWQDTNNGNFFMAASVYQDDENQRNKKET
DGYYANDDVNAVYFDSMDKVNTDWEYLPFMSQVEVVFNDVIVPEMNENGD
LVGAMAKAQQKLKAYAEDNGFKVTTDAD

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: 6hus Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6hus Evolutionary adaptation in fucosyllactose uptake systems supports bifidobacteria-infant symbiosis.
• Resolution: 1.409 Å
• Binding residue (original residue number in PDB): S60 Q63 D161 W286 S322
• Binding residue (residue number reindexed from 1): S28 Q31 D129 W254 S290
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding
• GO:1901982 maltose binding

Biological Process

• GO:0015768 maltose transport
• GO:0042956 maltodextrin transmembrane transport

Cellular Component

• GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

External links

• PDB: RCSB:6hus, PDBe:6hus, PDBj:6hus
• PDBsum: 6hus
• PubMed: 31489370
• UniProt: A0A1S2VYK0