Structure of PDB 4q85 Chain D Binding Site BS02

Receptor Information
>4q85 Chain D (length=572) 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
GGQYPVICVVLFNPANGTCFASFGAHPDFGVALERTVTELLFTPPTFDDE
EVAEHTNLETHFIDSSGLISWDLFKQDADYPFVDWNFSGTTEEEFATLMA
IFNKEDKEVYIADYEHLGVYACRIIVPGMSDIYPAEDLWLANNSMGSHLR
ETILSLPGSEWEKEDYLNLIEQLDEEGFDDFTRVRELLGLATGSDNGWYT
LRIGELKAMLALAGGDLEQALVWTEWTMEFNSSVFSPERANYYRCLQTLL
LLAQEEDRQPLQYLNAFVRMYGADAVEAASAAMSGEAAFYGLQPVDSDLH
AFAAHQSLLKAYEKLQRAKAAF
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 chain4q85 Chain D Residue 602 [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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PDB4q85 Discovery of a new ATP-binding motif involved in peptidic azoline biosynthesis.
Resolution3.29 Å
Binding residue
(original residue number in PDB)		L216 Y247 K336
Binding residue
(residue number reindexed from 1)		L215 Y246 K325
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:4q85, PDBe:4q85, PDBj:4q85
PDBsum4q85
PubMed25129028
UniProtP75838|YCAO_ECOLI Ribosomal protein S12 methylthiotransferase accessory factor YcaO (Gene Name=ycaO)

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