Structure of PDB 7xyr Chain A Binding Site BS06

Receptor Information
>7xyr Chain A (length=546) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPRPEYPRPQFERTTWVNLNGTWTYEFDLDDSGKKRNLPTAKELSKTITV
PFCPESKLSGVNHTDFIKKMWYQRSLPIPADWSNKKILLHFGAVDYLAEI
YIDGRLVGFHNGGSSPFVIDISRIAKPGNSHNLVVSVSDDAKSGRQACGK
QSPEKNSFACFYTRVTGIWQTVWMEALSPCGLKSANTYPDIDNNQLIITP
EFYQISNDQTLEVTIYDSQKKVAQVTSKCANGSNLILPIKNIKLWSPETP
HLYDISYCVKDAKGQIIDEVKSYVGMRKVHIANGKFYLNNEPYFQRLVMN
QGYYPDGIWTAPTDEALKNDILLSKEAGFNGARLHQKFFEERFHYWADKL
GFITWGESPNWGMNPDDEVASRNLLSEWIEILERDRNHPSIITWAPLTVP
LSGTFARLVFDLQKLTKAIDPSRPFNDLTGSGFHFLTDIWSISTYEPDAT
RFALSLKPDKNQAAYANQPFIIGEFGGIVWEEDALFERIEKLINAIQSSG
IISGFCYTQFSDIEQEKNGIYTYDRQPKFEMERIRSIFEKIPSRPI
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 chain7xyr Chain A Residue 606 [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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PDB7xyr Cystal Structure of Beta-glucuronidase from Bacteroides thetaiotaomicron
Resolution2.0 Å
Binding residue
(original residue number in PDB)
A113 V114 H130 G132 S135
Binding residue
(residue number reindexed from 1)
A93 V94 H110 G112 S115
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.31: beta-glucuronidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function

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Biological Process
External links
PDB RCSB:7xyr, PDBe:7xyr, PDBj:7xyr
PDBsum7xyr
PubMed
UniProtQ8A2L3

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