5XZB: Mouse cGAS

Mouse cGAS bound to the inhibitor RU365. Determined by X-ray diffraction at 2.13 Å resolution. Released 9 Aug 2017.

Method: X-ray diffraction
Resolution: 2.13 Å
Organism: Mus musculus
Chains: 3
Atoms: 3,622
Mol. weight: 51.26 kDa
Ligands: A9Y, ZN
Released: 9 Aug 2017

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

Secondary structure: helices and β-sheets

5XZB 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	161-183	23
β-strand	193-197	5	1
α-helix	199-202	4
β-strand	211-219	9	1
β-strand	223-227	5	1
β-strand	234-239	6	1
α-helix	249-251	3
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	285-287	3
β-strand	293-299	7	1
β-strand	303-314	12	1
α-helix	317-319	3
α-helix	320-322	3
α-helix	334-340	7
β-strand	345-348	4	1
α-helix	350-352	3
β-strand	353	1	3
β-strand	358	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	483-497	15
α-helix	502-504	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Cyclic GMP-AMP synthase	A	protein	357	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

>5XZB_1 Cyclic GMP-AMP synthase (chains A)
KLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQLNTGSYYEHVKISA
PNEFDVMFKLEVPRIELQEYYETGAFYLVKFKRIPRGNPLSHFLEGEVLSATKMLSKFRK
IIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRNPEEISVDIILALESKGSWPISTKEGLPI
QGWLGTKVRTNLRREPFYLVPKNAKDGNSFQGETWRLSFSHTEKYILNNHGIEKTCCESS
GAKCCRKECLKLMKYLLEQLKKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNLSSC
FDKLLAFFLECLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEYERNNGFPIFD

Sequence of entity 2 (E), FASTA

>5XZB_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

>5XZB_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
A9Y	(3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofur…	C19 H14 N4 O3	1
ZN	Zinc ion	Zn	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
7BUJ 2.13 Å, mcGAS bound with pppGpG
5XZE 2.18 Å, Mouse cGAS bound to the inhibitor RU332

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