5XZE: Mouse cGAS

Mouse cGAS bound to the inhibitor RU332. Determined by X-ray diffraction at 2.18 Å resolution. Released 11 Oct 2017.

Method: X-ray diffraction
Resolution: 2.18 Å
Organism: Mus musculus
Chains: 3
Atoms: 3,638
Mol. weight: 51.82 kDa
Ligands: ZN, AE7
Released: 11 Oct 2017

Explore 5XZE in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5XZE contains 20 α-helices and 15 β-strands across 1 chain. 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, 15 β-strands

Element	Residues	Length	Sheet
α-helix	150-157	8
α-helix	159-160	2
α-helix	161-182	22
β-strand	193-197	5	1
α-helix	200-202	3
β-strand	211-219	9	1
β-strand	223-227	5	1
β-strand	234-239	6	1
α-helix	247-251	5
β-strand	252-253	2	2
β-strand	256-257	2	2
α-helix	259-274	16
β-strand	281-284	4	1
α-helix	285-286	2
β-strand	293-299	7	1
β-strand	303-314	12	1
α-helix	317-319	3
α-helix	320-322	3
α-helix	334-342	9
β-strand	345-348	4	1
α-helix	350-351	2
β-strand	352	1	3
β-strand	359	1	3
β-strand	363-366	4	1
α-helix	368-376	9
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	445-461	17
β-strand	466	1	4
β-strand	474	1	4
α-helix	483-498	16
α-helix	502-504	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Cyclic GMP-AMP synthase	A	protein	362	Mus musculus	Q8C6L5 (AlphaFold model)
DNA (5'-d(apapaptptpgpcpcpgpapapgpapcp*g)-3')	E	DNA	15	Mus musculus
DNA (5'-d(pcpgptpcptptpcpgpgpcpapaptpt)-3')	F	DNA	14	Mus musculus

Sequence of entity 1 (A), FASTA

>5XZE_1 Cyclic GMP-AMP synthase (chains A)
SPDKLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLNTGSYYEHVK
ISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFKRIPRGNPLSHFLEGEVLSATKMLSK
FRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEISVDIILALESKGSWPISTKEG
LPIQGWLGTKVRTNLRREPFYLVPKNAKDGNSFQGETWRLSFSHTEKYILNNHGIEKTCC
ESSGAKCCRKECLKLMKYLLEQLKKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNL
SSCFDKLLAFFLECLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPIFD
KL

Sequence of entity 2 (E), FASTA

>5XZE_2 DNA (5'-D(*AP*AP*AP*TP*TP*GP*CP*CP*GP*AP*AP*GP*AP*CP*G)-3') (chains E)
AAATTGCCGAAGACG

Sequence of entity 3 (F), FASTA

>5XZE_3 DNA (5'-D(P*CP*GP*TP*CP*TP*TP*CP*GP*GP*CP*AP*AP*TP*T)-3') (chains F)
CGTCTTCGGCAATT

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	1
AE7	(3R)-3-[1-(3H-1lambda~4~,3-benzothiazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-y…	C19 H15 N3 O3 S	1

Primary citation

Small molecule inhibition of cGAS reduces interferon expression in primary macrophages from autoimmune mice. Vincent, J., Adura, C., Gao, P. et al. Nat Commun (2017) 8:750-750. DOI 10.1038/s41467-017-00833-9 · 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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