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PDB ID: 5VDU

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
9BS 2-(pyridin-2-yl)pyrimidine PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5VDU   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F2
Release Data : 2017-09-27
Compound :
mol_id molecule chains synonym
1 Cyclic GMP-AMP synthase A,B h-cGAS,2'3'-cGAMP synthase,Mab-21 domain-containing protein 1
ec: 2.7.7.86
fragment: UNP residues 161-521
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: MB21D1, C6orf150
Authors : Byrnes, L.J., Hall, J.D.
Keywords : transferase, STING, cGAMP
Exp. method : X-RAY DIFFRACTION ( 2.7290 Å )
Citation :

The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition.

Hall, J.,Ralph, E.C.,Shanker, S.  et al.
(2017)  Protein Sci.  26 : 2367 - 2380

PubMed: 28940468
DOI: 10.1002/pro.3304

Reaction

Chain : A, B
UniProt : Q8N884 (CGAS_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
GTP + ATP = 2',3'-cGAMP + 2 diphosphate 2.7.7.86 PubMed:23258413, PubMed:23707061, PubMed:23722159, PubMed:25131990, PubMed:28934246, PubMed:29976794, PubMed:30799039, PubMed:31142647, PubMed:32814054, PubMed:33542149, PubMed:37802025
left-to-right PubMed:23258413, PubMed:28934246, PubMed:37802025
GTP + ATP = pppGp(2'-5')A + diphosphate - PubMed:23258413, PubMed:23707061, PubMed:23722159, PubMed:25131990, PubMed:28934246, PubMed:29976794, PubMed:30799039, PubMed:31142647, PubMed:32814054, PubMed:33542149, PubMed:37802025
left-to-right PubMed:23258413, PubMed:28934246, PubMed:37802025
pppGp(2'-5')A = 2',3'-cGAMP + diphosphate - PubMed:23258413, PubMed:23707061, PubMed:23722159, PubMed:25131990, PubMed:28934246, PubMed:29976794, PubMed:30799039, PubMed:31142647, PubMed:32814054, PubMed:33542149, PubMed:37802025
left-to-right PubMed:23258413, PubMed:28934246, PubMed:37802025
Cofactor: Evidence: Note:
Mn(2+) ECO:0000269 | PubMed:30007416
ECO:0000269 | PubMed:32814054
Binds 1 Mg(2+) ion per subunit (PubMed:30007416). Is also active with Mn(2+) (PubMed:32814054). Mn(2+)-activated enzyme forms an inverted pppGp(2'-5')A intermediate, suggesting a non-canonical but accelerated 2',3'-cGAMP cyclization without substrate flip-over (By similarity). Mn(2+) ions are coordinated by triphosphate moiety of the inverted substrate, independent of the catalytic triad residues (By similarity).
Zn(2+) ECO:0000269 | PubMed:29976794
ECO:0000269 | PubMed:31113940
ECO:0000269 | PubMed:31142647
ECO:0000269 | PubMed:32459092
ECO:0000269 | PubMed:32911482
ECO:0000269 | PubMed:32912999
Undergoes a liquid-like phase transition after binding to DNA, which is dependent on zinc.