Structure of PDB 5tf0 Chain A Binding Site BS01

Receptor Information
>5tf0 Chain A (length=733) Species: 471870 (Bacteroides intestinalis DSM 17393) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDMDRFIDALMKKMTVEEKIGQLNLPVSGSDVAKKIEQGLVGGLLNLKGV
EKIRDVQKLAIEKSRLGIPLIFGMDVVHGYETIFPIPLGLSCSWDMEAIR
KSARVAAIEASADGISWTFSPMVDISRDPRWGRVSEGNGEDPFLGGAIAK
AMVSGYQGIDLNNQLKRNDEIMACVKHFALYGAGEAGRDYNTVDMSRNRM
FNEYMYPYQAAVDAGVGSVMASFNEIDGIPATANKWLMTDVLRKQWGFDG
FVVTDFTGISEMIAHGIGDLQTVSARALNAGVDMDMVSEGFTGTIKKSID
EGKISMETLDKACRRILEAKYKLGLFDNPYKYCDLKRPKRDIFTKEHRDA
ARKIAGESFVLLKNDKSSANPTLPLKKEGTVAVIGPLANTRSNMPGTWSV
AARLNDYPSVYEGLKEMMKGKVNITYAKGSNLISDAAYEERATMFGRSLN
RDNRTDKEMLDEALKVAANADVIIAALGESSEMSGESSSRTNLALPDVQR
TLLEALLKTGKPVVLTLFTGRPLTLTWEQEHVPAILNVWFGGSEAAYAIG
DVLFGDVNPSGKLTMTFPKNVGQIPLFYNHKNTGRPLLEGKWFEKFRSNY
LDVDNDPLYPFGYGLSYTNFQYSDITLSAPTMGQDGSVTAMVTVTNTGKY
DGAEVVQLYIRDLVGSITRPVKELKGFDKIFLKAGESKTVSFKITPELLR
FYDYELNYVAEPGDFDIMIGGNSQSVKTTHLSL
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 chain5tf0 Chain A Residue 800 [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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PDB5tf0 Crystal Structure of Glycosil Hydrolase Family 3 N-Terminal Domain Protein from Bacteroides intestinalis
Resolution2.2021 Å
Binding residue
(original residue number in PDB)		D701 V703
Binding residue
(residue number reindexed from 1)		D662 V664
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D292 S523
Catalytic site (residue number reindexed from 1) D255 S484
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:5tf0, PDBe:5tf0, PDBj:5tf0
PDBsum5tf0
PubMed
UniProtB3C777

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