Structure of PDB 8sub Chain Q Binding Site BS02

Receptor Information
>8sub Chain Q (length=552) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSLFKLTEISAIGYVVGLEGERIRINLHEGLQGRLAVSSVTQPGDLIGFD
AGNILVVARVTDMAFVIPLRQIIAYAIGFVKRELNGYVFISEDWRLPALG
SSAVPLTSDFLNIIYSIDKEELPKAVELGVDSRTKTVKIFASVDKLLSRH
LAVLGSTGYGKSNFNALLTRKVSEKYPNSRIVIFDINGEYAQAFTGIPNV
KHTILGEKKQQKGELYSEEYYCYKKIPYQALGFAGLIKLLRPSDKTQLPA
LRNALSAINRTHFKSRNIYLEKDDGETFLLYDDCRDTNQSKLAEWLDLLR
RRRLKRTNVWPPFKSLATLVAEFGCSKRDAFGFSNVLPLVKIIQQLAEDI
RFKSIVNLNGGGELADGGTHWDKAMSDEVDYFFGKEKGQENDWNVHIVNM
KNLAQDHAPMLLSALLEMFAEILFRRGQERSYPTVLLLEEAHHYLRYERL
AKEGRKFKCSLIVSTQRPSELSPTVLAMCSNWFSLRLTNERDLQALRYAM
ESGNEQILKQISGLPRGDAVAFGSAFNLPVRISINQARPGPKSSDAVFSE
EW
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 chain8sub Chain Q Residue 702 [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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PDB8sub E. coli SIR2-HerA complex (dodecamer Sir2 and pentamer HerA)
Resolution2.89 Å
Binding residue
(original residue number in PDB)		S178 T179 G180
Binding residue
(residue number reindexed from 1)		S156 T157 G158
Annotation score4
External links