Structure of PDB 8sj1 Chain C Binding Site BS06

Receptor Information
>8sj1 Chain C (length=348) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLNT
GSYYEHVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFPLSHFVLS
ATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEISVDI
ILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFYLVPKNAKDGNSF
QGETWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRKECLKLMKYLLEQL
KKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLSSCFDKLLAFFLE
CLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPIFDK
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 chain8sj1 Chain C Residue 603 [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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PDB8sj1 Structure of ternary complex of cGAS with dsDNA and bound 3'-dATP
Resolution2.81 Å
Binding residue
(original residue number in PDB)		S199 E211 D213
Binding residue
(residue number reindexed from 1)		S52 E64 D66
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:8sj1, PDBe:8sj1, PDBj:8sj1
PDBsum8sj1
PubMed38740774
UniProtQ8C6L5|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)

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