8SJ2: Cyclic GMP-AMP synthase

Structure of ternary complex of cGAS with dsDNA and bound ATP and 2'-dGTP. Determined by X-ray diffraction at 2.23 Å resolution. Released 24 Apr 2024.

Method: X-ray diffraction
Resolution: 2.23 Å
Organisms: Mus musculus, synthetic construct
Chains: 6
Atoms: 7,482
Mol. weight: 109.55 kDa
Ligands: ATP, DGT, MG, ZN
Released: 24 Apr 2024

Explore 8SJ2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8SJ2 contains 39 α-helices and 26 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 20 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	147-157	11
α-helix	158-160	3
α-helix	161-181	21
β-strand	193-197	5	1
α-helix	199-202	4
β-strand	211-219	9	1
β-strand	224-227	4	1
β-strand	234-238	5	1
α-helix	249-251	3
β-strand	252-253	2	1
β-strand	256-257	2	1
α-helix	258	1
α-helix	259-275	17
β-strand	282-284	3	1
β-strand	294-300	7	1
β-strand	302-314	13	1
α-helix	317-319	3
α-helix	320-322	3
α-helix	334-341	8
β-strand	345-349	5	1
α-helix	359-361	3
β-strand	362-366	5	1
α-helix	368-376	9
β-strand	381	1	2
α-helix	394-411	18
α-helix	413-415	3
α-helix	420-433	14
α-helix	437-440	4
α-helix	442-444	3
α-helix	445-462	18
β-strand	466	1	3
β-strand	474	1	3
α-helix	483-498	16
α-helix	502-505	4

Chain C: 19 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	150-157	8
α-helix	159-160	2
α-helix	161-184	24
β-strand	193-197	5	4
α-helix	198-202	5
β-strand	211-219	9	4
β-strand	224-227	4	4
β-strand	234-238	5	4
α-helix	248-250	3
α-helix	259-276	18
β-strand	282-284	3	4
α-helix	285-288	4
β-strand	293-299	7	4
β-strand	303-314	12	4
α-helix	317-319	3
α-helix	320-322	3
α-helix	334-341	8
β-strand	345-348	4	4
β-strand	363-366	4	4
α-helix	368-376	9
β-strand	381	1	2
α-helix	394-411	18
α-helix	413-415	3
α-helix	420-433	14
α-helix	437-440	4
α-helix	442-444	3
α-helix	445-462	18
β-strand	466	1	5
β-strand	474	1	5
α-helix	483-498	16
α-helix	502-505	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Cyclic GMP-AMP synthase	A, C	protein	364	Mus musculus	Q8C6L5 (AlphaFold model)
Palindromic DNA18	E, F, I, J	DNA	18	synthetic construct

Sequence of entity 1 (A, C), FASTA

>8SJ2_1 Cyclic GMP-AMP synthase (chains A, C)
GTGPDKLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLNTGSYYEH
VKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFKRIPRGNPLSHFLEGEVLSATKML
SKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEISVDIILALESKGSWPISTK
EGLPIQGWLGTKVRTNLRREPFYLVPKNAKDGNSFQGETWRLSFSHTEKYILNNHGIEKT
CCESSGAKCCRKECLKLMKYLLEQLKKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPR
NLSSCFDKLLAFFLECLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPI
FDKL

Sequence of entity 2 (E, F, I, J), FASTA

>8SJ2_2 Palindromic DNA18 (chains E, F, I, J)
ATCTGTACATGTACAGAT

Ligands and cofactors

ID	Name	Formula	Copies
ATP	Adenosine-5'-triphosphate	C10 H16 N5 O13 P3	2
DGT	2'-deoxyguanosine-5'-triphosphate	C10 H16 N5 O13 P3	2
MG	Magnesium ion	Mg	2
ZN	Zinc ion	Zn	2

Primary citation

The structural basis for 2'-5'/3'-5'-cGAMP synthesis by cGAS. Wu, S., Gabelli, S.B., Sohn, J. Nat Commun (2024) 15:4012-4012. DOI 10.1038/s41467-024-48365-3 · PubMed

Other PDB entries of the same protein (UniProt Q8C6L5 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8SHK 1.71 Å, Structure of binary complex of mouse cGAS and bound ATP
8SHU 1.71 Å, Structure of mouse cGAS
8SHY 1.77 Å, Structure of binary complex of mouse cGAS QN and bound ATP
5XZG 1.83 Å, Mouse cGAS bound to the inhibitor RU521
4O6A 1.86 Å, Mouse cyclic GMP-AMP synthase (cGAS) in complex with DNA
4K98 1.94 Å, Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppG(2 ,5 )pG
4K99 1.95 Å, Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pppdG(2 ,5 )pdG
4K8V 2.0 Å, Structure of cyclic GMP-AMP Synthase (cGAS)
7UTT 2.04 Å, Structure of Non-hydrolyzable ATP (ApCpp) binds to Cyclic GMP AMP synthase (cGAS)…
4K96 2.08 Å, Structure of Binary Complex of cGAS with Bound dsDNA
5XZB 2.13 Å, Mouse cGAS bound to the inhibitor RU365
7BUJ 2.13 Å, mcGAS bound with pppGpG

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