Structure of PDB 5wab Chain A Binding Site BS01

Receptor Information
>5wab Chain A (length=674) Species: 367928 (Bifidobacterium adolescentis ATCC 15703) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYPSVNDLTLEEKASLTSGGDAWHLQGVEAKGIPGYMITDGPHGLRKSSV
PATCFPPAAGLSSSWNPELIHQVGEAMAEECIQEKVAVILGPGVNIKRNP
LGGRCFEYWSEDPYLAGHEAVGIVAGVQSKGVGTSLKHFAANNQETDRLR
VSANISQRALREIYFPAFEHIVKTAQPWTIMCSYNRINGVHSAQNRWLLT
DVLRDEWGYEGIVMSDWGADHDRVASLNAGLNLEMPPSYTDDQIVYAARD
GRIQPEQLDRMAQGMVDLVNKTRSAMSIDDYHFDVDAHDEVAHQAAIESM
VLLKNDDDILPVAANAKIAVIGEFARTPRYQGSSHITPTKMTSFLDTLAA
RGVDVAFAPGFTLDLEPADRTLEAEAVETAKNADVVLMFLGLPEAAESEG
FDRETLDIPAKQVELLKAVAAENKNIVVVLSNGSVVSVAPWAGNAKGILE
SWLLGQAGGPALADVIFGKVSPSGKLAQTIPMNINDDPSMINWPGEEGHV
DYGEGVFVGYRYYDTYDKAVDYPFGFGLSYATFAIDGVNVAKTGANTAHV
TATVTNTSDVDAAETVQVYVAPGKAAVARPKHELKGFRKVFLKAGESAEI
TFDLDERAFAYWSEKFNDWHVEAGEYTVEVGTSSRDIAAVAVVTLDGDGK
ALPLDEWSTFGEWADDPVGSKIVA
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain5wab Chain A Residue 801 [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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PDB5wab Structural and biochemical characterization of a GH3 beta-glucosidase from the probiotic bacteria Bifidobacterium adolescentis.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		D44 K153 H154 M197 D232
Binding residue
(residue number reindexed from 1)		D40 K137 H138 M181 D216
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5wab, PDBe:5wab, PDBj:5wab
PDBsum5wab
PubMed29555372
UniProtA1A2P2

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