Structure of PDB 4q86 Chain E Binding Site BS02

Receptor Information
>4q86 Chain E (length=578) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFIPGKDAALEDSIARFQQKLSDLGFQIEEASWLNPVPNVWSVHIRDKEC
ALCFTNGKGATKKAALASALGEYFERLSTNYFFADFWLGETIANGPFVHY
PNEKWFPLTENDDVPEGLLDDRLRAFYDPENELTGSMLIDLQSGNEDRGI
CGLPFTRQSDNQTVYIPMNIIGNLYVSNGMSAGNTRNEARVQGLSEVFER
YVKNRIIAESISLPEIPADVLARYPAVVEAIETLEAEGFPIFAYDGSLGG
QYPVICVVLFNPANGTCFASFGAHPDFGVALERTVTELLQGRGLKDLDVF
TPPTFDDEEVAEHTNLETHFIDSSGLISWDLFKQDADYPFVDWNFSGTTE
EEFATLMAIFNKEDKEVYIADYEHLGVYACRIIVPGMSDIYPAEDLWLAN
NSMGSHLRETILSLPGSEWEKEDYLNLIEQLDEEGFDDFTRVRELLGLAT
GSDNGWYTLRIGELKAMLALAGGDLEQALVWTEWTMEFNSSVFSPERANY
YRCLQTLLLLAQEEDRQPLQYLNAFVRMYGADAVEAASAAMSGEAAFYGL
QPVDSDLHAFAAHQSLLKAYEKLQRAKA
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 chain4q86 Chain E Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4q86 Discovery of a new ATP-binding motif involved in peptidic azoline biosynthesis.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		L216 Y247 L334 K336
Binding residue
(residue number reindexed from 1)		L213 Y244 L331 K333
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0047693 ATP diphosphatase activity
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:4q86, PDBe:4q86, PDBj:4q86
PDBsum4q86
PubMed25129028
UniProtP75838|YCAO_ECOLI Ribosomal protein S12 methylthiotransferase accessory factor YcaO (Gene Name=ycaO)

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