Structure of PDB 7xyr Chain A Binding Site BS01

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 601 [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)
R23 E25 D334
Binding residue
(residue number reindexed from 1)
R3 E5 D314
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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