Structure of PDB 5xxl Chain B Binding Site BS01

Receptor Information
>5xxl Chain B (length=731) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMDRFIDALMKKMTVEEKIGQLNLPVIAAKIKRGEVGGLFNLKGVEKIRD
VQKQAVEQSRLGIPLLFGMDVIHGYETMFPIPLGLSCTWDMTAIEESARI
AAIEASADGISWTFSPMVDISRDPRWGRVSEGSGEDPFLGAMIAEAMVLG
YQGKDMQRNDEIMACVKHFALYGAGEGGRDYNTVDMSRQRMFNEYMLPYE
AAVEAGVGSVMASFNEVDGVPATANKWLMTDVLRGQWGFNGFVVTDYTGI
SEMIDHGIGDLQTVSARAINAGVDMDMVSEGFVSTLKKSIQEGKVSMETL
NTACRRILEAKYKLGLFDNPYKYCDLKRPARDIFTKAHRDAARRIAAESF
VLLKNDNVTLRPGTPAEPLLPFNPKGNIAVIGPLADSRTNMPGTWSVAAV
LDRCPSLVEGLKEMTAGKANILYAKGSNLISDASYEERATMFGRSLNRDN
RTDEQLLNEALTVANQSDIIIAALGESSEMSGESSSRTDLNIPDVQQNLL
KELLKTGKPVVLVLFTGRPLTLTWEQEHVPAILNVWFGGSEAAYAIGDAL
FGYVNPGGKLTMSFPKNVGQIPLYYAHKNTGRPLAQGKWFEKFRSNYLDV
DNEPLYPFGYGLSYTTFSYGDIDLSRSTIDMTGELTAAVMVTNTGTWPGS
EVVQLYIRDLVGSTTRPVKELKGFQKIFLEPGQSEIVRFKIAPEMLRYYN
YDLQLVAEPGEFEVMIGTNSRDVKSARFTLK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5xxl Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xxl Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D699 V701
Binding residue
(residue number reindexed from 1)		D659 V661
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.21: beta-glucosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0008422 beta-glucosidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0009251 glucan catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5xxl, PDBe:5xxl, PDBj:5xxl
PDBsum5xxl
PubMed29131329
UniProtQ8A1U1

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