Structure of PDB 6cta Chain A Binding Site BS04

Receptor Information
>6cta Chain A (length=344) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASKLRAVLEKLKLSRDDISTAAGMVNGVVDHLLRRLKCDSAFRGVGLLN
TGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKNPLSQF
LEGEILSASKMLSKFRKIIKEEINDIDVIMKGGSPAVTLLISEKISVDIT
LALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAQEETWRL
SFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDK
KHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRT
EKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDE
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 chain6cta 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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PDB6cta Structure of the Human cGAS-DNA Complex Reveals Enhanced Control of Immune Surveillance.
Resolution2.779 Å
Binding residue
(original residue number in PDB)		E225 D227
Binding residue
(residue number reindexed from 1)		E65 D67
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:6cta, PDBe:6cta, PDBj:6cta
PDBsum6cta
PubMed30007416
UniProtQ8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

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