Structure of PDB 8ibs Chain D Binding Site BS01

Receptor Information
>8ibs Chain D (length=691) Species: 391904 (Bifidobacterium longum subsp. infantis ATCC 15697 = JCM 1222 = DSM 20088) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEHRAFKWPQPLAGNKPRIWYGGDYNPDQWPEEVWDEDVALMQQAGVNLV
SVAIFSWAKLEPEEGVYDFDWLDRVIDKLGKAGIAVDLASGTASPPMWMT
QAHPEILWVDYRGDVCQPGARQHWRATSPVFLDYALNLCRKMAEHYKDNP
YVVSWHVSNAYGCHNRFDYSEDAERAFQKWCEKKYGTIDAVNDAWGTAFW
AQRMNNFSEIIPPRFIGDGNFMNPGKLLDWKRFSSDALLDFYKAERDALL
EIAPKPQTTNFMVSAGCTVLDYDKWGHDVDFVSNDHYFSPGEAHFDEMAY
AACLTDGIARKNPWFLMAHSTSAVNWRPTNYRLEPGELVRDSLAHLAMGA
DAICYFQWRQSKAGAEKWHSAMVPHAGPDSQIFRDVCELGADLNKLADEG
LLSTKLVKSKVAIVFDYESQWATEHTATPTQEVRHWTEPLDWFRALADNG
LTADVVPVRGPWDEYEAVVLPSLAILSEQTTRRVREYVANGGKLFVTYYT
GLVDDRDHVWLGGYPGSIRDVVGVRVEEFAPMGTDAPGTMDHLDLDNGTV
AHDFADVITSVADTAHVVASFKADKWTGFDGAPAITVNDFGDGKAAYVGA
RLGREGLAKSLPALLEELGIETSAEDDRGEVLRVERADETGENHFVFLFN
RTHDVAVVDVEGEPLVASLAQVNESEHTAAIQPNGVLVVKL
Ligand information
Ligand IDGLA
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-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain8ibs Chain D Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ibs Bifidobacterium longum subsp. infantis uses two different beta-galactosidases for selectively degrading type-1 and type-2 human milk oligosaccharides.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R121 N159 D285 Y287 W326 F356 E366 H369
Binding residue
(residue number reindexed from 1)		R121 N159 D285 Y287 W326 F356 E366 H369
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.23: beta-galactosidase.
Gene Ontology
Molecular Function
GO:0004565 beta-galactosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process
Cellular Component
GO:0009341 beta-galactosidase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ibs, PDBe:8ibs, PDBj:8ibs
PDBsum8ibs
PubMed38046823
UniProtQ93GI5|BGAL_BIFLI Beta-galactosidase III (Gene Name=beta-galIII)

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