Structure of PDB 5jzd Chain A Binding Site BS02

Receptor Information
>5jzd Chain A (length=378) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLAPNRFFFMSPYRSFTTSGCFARFDEPAVNGDSPDSPFQQKLAALFAD
AKAQGIKNPVMVGAIPFDPRQPSSLYIPESWQSFSRQEKQASARRFTRSQ
SLNVVERQAIPEQTTFEQMVARAAALTATPQVDKVVLSRLIDITTDAAID
SGVLLERLIAQNPVSYNFHVPLADGGVLLGASPELLLRKDGERFSSIPLA
GSARRQPDEVLDREAGNRLLASEKDRHEHELVTQAMKEVLRERSSELHVP
SSPQLITTPTLWHLATPFEGKANSQENALTLACLLHPTPALSGFPHQAAT
QVIAELEPFDRELFGGIVGWCDSEGNGEWVVTIRCAKLRENQVRLFAGAG
IVPASSPLGEWRETGVKLSTMLNVFGLH
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 chain5jzd Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jzd An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
Resolution2.303 Å
Binding residue
(original residue number in PDB)		E241 E376
Binding residue
(residue number reindexed from 1)		E228 E363
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) K134 E184 A200 E228 H263 A290 F314 R334 G350 E363 K367
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5jzd, PDBe:5jzd, PDBj:5jzd
PDBsum5jzd
PubMed27373320
UniProtP0AEJ2|ENTC_ECOLI Isochorismate synthase EntC (Gene Name=entC)

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