Structure of PDB 7uux Chain A Binding Site BS06

Receptor Information
>7uux Chain A (length=353) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLNTG
SYYEHVKISAPNQFNVMFKLEVPRIELQEYYETGAFYLVKFNPLSHFLEG
EVLSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEI
SVDIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFYLVPKNAKD
GNSFQGETWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRKECLKLMKYL
LEQLKKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLSSCFDKLLA
FFLECLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPIF
DKL
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 chain7uux Chain A 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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PDB7uux ATP binds to Cyclic GMP AMP synthase (cGAS) through Mg coordination
Resolution2.26 Å
Binding residue
(original residue number in PDB)		Q211 N213
Binding residue
(residue number reindexed from 1)		Q63 N65
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:7uux, PDBe:7uux, PDBj:7uux
PDBsum7uux
PubMed
UniProtQ8C6L5|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)

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