Structure of PDB 5xxo Chain B Binding Site BS03

Receptor Information
>5xxo Chain B (length=732) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DMDRFIDALMKKMTVEEKIGQLNLPVDIAAKIKRGEVGGLFNLKGVEKIR
DVQKQAVEQSRLGIPLLFGMDVIHGYETMFPIPLGLSCTWDMTAIEESAR
IAAIEASADGISWTFSPMVDISRDPRWGRVSEGSGEDPFLGAMIAEAMVL
GYQGKDMQRNDEIMACVKHFALYGAGEGGRDYNTVDMSRQRMFNEYMLPY
EAAVEAGVGSVMASFNEVDGVPATANKWLMTDVLRGQWGFNGFVVTNYTG
ISEMIDHGIGDLQTVSARAINAGVDMDMVSEGFVSTLKKSIQEGKVSMET
LNTACRRILEAKYKLGLFDNPYKYCDLKRPARDIFTKAHRDAARRIAAES
FVLLKNDNVTLRPGTPAEPLLPFNPKGNIAVIGPLADSRTNMPGTWSVAA
VLDRCPSLVEGLKEMTAGKANILYAKGSNLISDASYEERATMFGRSLNRD
NRTDEQLLNEALTVANQSDIIIAALGESSEMSGESSSRTDLNIPDVQQNL
LKELLKTGKPVVLVLFTGRPLTLTWEQEHVPAILNVWFGGSEAAYAIGDA
LFGYVNPGGKLTMSFPKNVGQIPLYYAHKNTGRPLAQGKWFEKFRSNYLD
VDNEPLYPFGYGLSYTTFSYGDIDLSRSTIDMTGELTAAVMVTNTGTWPG
SEVVQLYIRDLVGSTTRPVKELKGFQKIFLEPGQSEIVRFKIAPEMLRYY
NYDLQLVAEPGEFEVMIGTNSRDVKSARFTLK
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 chain5xxo Chain C Residue 3 [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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PDB5xxo Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
Resolution2.02 Å
Binding residue
(original residue number in PDB)		D110 F154 R168 K207 M251 N286 M317 E523
Binding residue
(residue number reindexed from 1)		D71 F115 R129 K168 M212 N247 M278 E484
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:5xxo, PDBe:5xxo, PDBj:5xxo
PDBsum5xxo
PubMed29131329
UniProtQ8A1U1

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