Structure of PDB 7bum Chain B Binding Site BS01

Receptor Information
>7bum Chain B (length=361) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDKLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLN
TGSYYEHVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFKRIPRGN
PLSHFLEGEVLSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTL
LIRNPEEISVDIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFY
LVPKNAKDGNSFQGETWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRKE
CLKLMKYLLEQLKKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLS
SCFDKLLAFFLECLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYE
RNNGFPIFDKL
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 chain7bum Chain B Residue 601 [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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PDB7bum Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Resolution3.047 Å
Binding residue
(original residue number in PDB)		H378 C384 C385 C392
Binding residue
(residue number reindexed from 1)		H232 C238 C239 C246
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0003690 double-stranded DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0005546 phosphatidylinositol-4,5-bisphosphate binding
GO:0008289 lipid binding
GO:0016779 nucleotidyltransferase activity
GO:0031491 nucleosome binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0061501 2',3'-cyclic GMP-AMP synthase activity
GO:0140693 molecular condensate scaffold activity
GO:0160004 poly-ADP-D-ribose modification-dependent protein binding
Biological Process
GO:0002218 activation of innate immune response
GO:0002221 pattern recognition receptor signaling pathway
GO:0002230 positive regulation of defense response to virus by host
GO:0002637 regulation of immunoglobulin production
GO:0002753 cytoplasmic pattern recognition receptor signaling pathway
GO:0006281 DNA repair
GO:0006974 DNA damage response
GO:0008340 determination of adult lifespan
GO:0019933 cAMP-mediated signaling
GO:0019934 cGMP-mediated signaling
GO:0032479 regulation of type I interferon production
GO:0032481 positive regulation of type I interferon production
GO:0038001 paracrine signaling
GO:0045087 innate immune response
GO:0045738 negative regulation of DNA repair
GO:0050776 regulation of immune response
GO:0050863 regulation of T cell activation
GO:0051607 defense response to virus
GO:0071360 cellular response to exogenous dsRNA
GO:0140896 cGAS/STING signaling pathway
GO:0160049 negative regulation of cGAS/STING signaling pathway
GO:2000042 negative regulation of double-strand break repair via homologous recombination
GO:2000774 positive regulation of cellular senescence
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016604 nuclear body
GO:0035861 site of double-strand break

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bum, PDBe:7bum, PDBj:7bum
PDBsum7bum
PubMed32814054
UniProtQ8C6L5|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)

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