Structure of PDB 4q86 Chain D Binding Site BS02

Receptor Information
>4q86 Chain D (length=582) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQTFIPGKDAALEDSIARFQQKLSDLGFQIEEASWLNPVPNVWSVHIRDK
ECALCFTNGKGATKKAALASALGEYFERLSTNYFFADFWLGETIANGPFV
HYPNEKWFPLTENDDVPEGLLDDRLRAFYDPENELTGSMLIDLQSGNEDR
GICGLPFTRQSDNQTVYIPMNIIGNLYVSNGMSAGNTRNEARVQGLSEVF
ERYVKNRIIAESISLPEIPADVLARYPAVVEAIETLEAEGFPIFAYDGSL
GGQYPVICVVLFNPANGTCFASFGAHPDFGVALERTVTELLQGRGLKDLD
VFTPPTFDDEEVAEHTNLETHFIDSSGLISWDLFKQDADYPFVDWNFSGT
TEEEFATLMAIFNKEDKEVYIADYEHLGVYACRIIVPGMSDIYPAEDLWL
ANNSMGSHLRETILSLPGSEWEKEDYLNLIEQLDEEGFDDFTRVRELLGL
ATGSDNGWYTLRIGELKAMLALAGGDLEQALVWTEWTMEFNSSVFSPERA
NYYRCLQTLLLLAQEEDRQPLQYLNAFVRMYGADAVEAASAAMSGEAAFY
GLQPVDSDLHAFAAHQSLLKAYEKLQRAKAAF
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 D 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)		S215 L216 Y247 L334 K336
Binding residue
(residue number reindexed from 1)		S214 L215 Y246 L333 K335
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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