Structure of PDB 8eae Chain C Binding Site BS05

Receptor Information
>8eae 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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8eae 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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PDB8eae Structure of Ternary Complex of cGAS with dsDNA and Bound 5-pppG(2,5)pI
Resolution2.56 Å
Binding residue
(original residue number in PDB)		H378 C384 C385 C392
Binding residue
(residue number reindexed from 1)		H220 C226 C227 C234
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:8eae, PDBe:8eae, PDBj:8eae
PDBsum8eae
PubMed38740774
UniProtQ8C6L5|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)

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