Structure of PDB 7xyr Chain A Binding Site BS03

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 603 [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)
Y121 I122 D123 G124 N152 V154
Binding residue
(residue number reindexed from 1)
Y101 I102 D103 G104 N132 V134
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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