Structure of PDB 5xxn Chain B Binding Site BS03

Receptor Information
>5xxn 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
AAVEAGVGSVMASFNEVDGVPATANKWLMTDVLRGQWGFNGFVVTNYTGI
SEMIDHGIGDLQTVSARAINAGVDMDMVSEGFVSTLKKSIQEGKVSMETL
NTACRRILEAKYKLGLFDNPYKYCDLKRPARDIFTKAHRDAARRIAAESF
VLLKNDNVTLRPGTPAEPLLPFNPKGNIAVIGPLADSRTNMPGTWSVAAV
LDRCPSLVEGLKEMTAGKANILYAKGSNLISDASYEERATMFGRSLNRDN
RTDEQLLNEALTVANQSDIIIAALGESSEMSGESSSRTDLNIPDVQQNLL
KELLKTGKPVVLVLFTGRPLTLTWEQEHVPAILNVWFGGSEAAYAIGDAL
FGYVNPGGKLTMSFPKNVGQIPLYYAHKNTGRPLAQGKWFEKFRSNYLDV
DNEPLYPFGYGLSYTTFSYGDIDLSRSTIDMTGELTAAVMVTNTGTWPGS
EVVQLYIRDLVGSTTRPVKELKGFQKIFLEPGQSEIVRFKIAPEMLRYYN
YDLQLVAEPGEFEVMIGTNSRDVKSARFTLK
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5xxn Chain D Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xxn Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D110 R168 K207 N286 M317 E523
Binding residue
(residue number reindexed from 1)		D70 R128 K167 N246 M277 E483
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:5xxn, PDBe:5xxn, PDBj:5xxn
PDBsum5xxn
PubMed29131329
UniProtQ8A1U1

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