Structure of PDB 8ecc Chain C Binding Site BS06

Receptor Information
>8ecc Chain C (length=343) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLNTG
SYYEHVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFNPLSHFLVL
SATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEISVD
IILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFYLVPKNAQGETW
RLSFSHTEKYILNNHGIEKTCCESSGAKCCRKECLKLMKYLLEQLKKEFQ
ELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLSSCFDKLLAFFLECLRTE
KLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPIFDK
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 chain8ecc Chain C 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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PDB8ecc Structure of Ternary Complex of cGAS with dsDNA and Bound 5-pppI(2,5)pA
Resolution2.44 Å
Binding residue
(original residue number in PDB)		E211 D213
Binding residue
(residue number reindexed from 1)		E63 D65
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:8ecc, PDBe:8ecc, PDBj:8ecc
PDBsum8ecc
PubMed
UniProtQ8C6L5|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)

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