Structure of PDB 5jy4 Chain B Binding Site BS01

Receptor Information
>5jy4 Chain B (length=374) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLAPNRFFFMSPYRSFTTSGCFARFDEPAVNGDSPDSPFQQKLAALFADA
KAQGIKNPVMVGAIPFDPRQPSSLYIPESWQSFSRQEKQASARRSQSLNV
VERQAIPEQTTFEQMVARAAALTATPQVDKVVLSRLIDITTDAAIDSGVL
LERLIAQNPVSYNFHVPLADGGVLLGASPELLLRKDGERFSSIPLAGSAR
RQPDEVLDREAGNRLLASEKDRHEHELVTQAMKEVLRERSSELHVPSSPQ
LITTPTLWHLATPFEGKANSQENALTLACLLHPTPALSGFPHQAATQVIA
ELEPFDRELFGGIVGWCDSEGNGEWVVTIRCAKLRENQVRLFAGAGIVPA
SSPLGEWRETGVKLSTMLNVFGLH
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 chain5jy4 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5jy4 An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		E241 E376
Binding residue
(residue number reindexed from 1)		E224 E359
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K147 E197 A213 E241 H276 A303 F327 R347 G363 E376 K380
Catalytic site (residue number reindexed from 1) K130 E180 A196 E224 H259 A286 F310 R330 G346 E359 K363
Enzyme Commision number 5.4.4.2: isochorismate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0008909 isochorismate synthase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0009239 enterobactin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5jy4, PDBe:5jy4, PDBj:5jy4
PDBsum5jy4
PubMed27373320
UniProtP0AEJ3|ENTC_ECO57 Isochorismate synthase EntC (Gene Name=entC)

[Back to BioLiP]