Structure of PDB 8ibt Chain A Binding Site BS01

Receptor Information
>8ibt Chain A (length=694) 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
YVVSWHVSNEYGCHNRFDYSEDAERAFQKWCEKKYGTIDAVNDAWGTAFW
AQRMNNFSEIIPPRFIGDGNFMNPGKLLDWKRFSSDALLDFYKAERDALL
EIAPKPQTTNFMVSAGCTVLDYDKWGHDVDFVSNDHYFSPGEAHFDEMAY
AACLTDGIARKNPWFLMSHSTSAVNWRPTNYRLEPGELVRDSLAHLAMGA
DAICYFQWRQSKAGAEKWHSAMVPHAGPDSQIFRDVCELGADLNKLADEG
LLSTKLVKSKVAIVFDYESQWATEHTATPTQEVRHWTEPLDWFRALADNG
LTADVVPVRGPWDEYEAVVLPSLAILSEQTTRRVREYVANGGKLFVTYYT
GLVDDRDHVWLGGYPGSIRDVVGVRVEEFAPMGTDAPGTMDHLDLDNGTV
AHDFADVITSVADTAHVVASFKADKWTGFDGAPAITVNDFGDGKAAYVGA
RLGREGLAKSLPALLEELGIETSAEDDRGEVLRVERADETGENHFVFLFN
RTHDVAVVDVEGEPLVASLAQVNEHTAAIQPNGVLVVKLAAALE
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 chain8ibt Chain C Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ibt Bifidobacterium longum subsp. infantis uses two different beta-galactosidases for selectively degrading type-1 and type-2 human milk oligosaccharides.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R121 E160 Y287 F356 E366
Binding residue
(residue number reindexed from 1)		R121 E160 Y287 F356 E366
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:8ibt, PDBe:8ibt, PDBj:8ibt
PDBsum8ibt
PubMed38046823
UniProtQ93GI5|BGAL_BIFLI Beta-galactosidase III (Gene Name=beta-galIII)

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