Structure of PDB 5xxn Chain B Binding Site BS01

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 C Residue 1 [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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PDB5xxn Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		R622 F633
Binding residue
(residue number reindexed from 1)		R582 F593
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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