Structure of PDB 6hur Chain A Binding Site BS02

Receptor Information
>6hur Chain A (length=428) Species: 1682 (Bifidobacterium longum subsp. infantis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSDVTAQDVENALTDTSKNVELTVWAYSAKQMEPTVKAFEKKYPHIKINF
VNTGAAEDHFTKFQNVVQAQKDIPDVVQMSANKFQQFAVSGALLNFANDS
IEKAWSKLYTKTAWAQVHYAGGLYGAPQDATPLANYVRKDILDEHNLQVP
ESWEDIYNEGIKLHKEDSNKYMGILGSDISFFTNLYRSVGARLWKVNSVD
DVELTMNSGKAKEFTEFLQKCLKDGVLEGGTVFTDEFNRSINDGRYATFI
NENWMGNTYKEQNPSLKGKMVVAAPPSWKGQPYQSSSVGSMMSVSAACPK
EKQAAALAFINWLDSDKDAIQSWQDTNNGNFFMAASVYQDDENQRNKKET
DGYYANDDVNAVYFDSMDKVNTDWEYLPFMSQVEVVFNDVIVPEMNENGD
LVGAMAKAQQKLKAYAEDNGFKVTTDAD
Ligand information
Ligand IDGAL
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain6hur Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6hur Evolutionary adaptation in fucosyllactose uptake systems supports bifidobacteria-infant symbiosis.
Resolution1.297 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 score4
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6hur, PDBe:6hur, PDBj:6hur
PDBsum6hur
PubMed31489370
UniProtA0A1S2VYK0

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