7BUJ: McGAS

mcGAS bound with pppGpG. Determined by X-ray diffraction at 2.13 Å resolution. Released 2 Sept 2020.

Method: X-ray diffraction
Resolution: 2.13 Å
Organism: Mus musculus
Chains: 2
Atoms: 6,269
Mol. weight: 105.42 kDa
Ligands: ZN, GTP, 5GP, MN
Released: 2 Sept 2020

Explore 7BUJ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7BUJ contains 36 α-helices and 28 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: 18 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	150-157	8
α-helix	158-160	3
α-helix	161-182	22
β-strand	193-194	2	1
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	1
β-strand	256-257	2	1
α-helix	259-274	16
β-strand	281-284	4	1
α-helix	285-288	4
β-strand	293-299	7	1
β-strand	303-314	12	1
α-helix	317-319	3
α-helix	320-322	3
α-helix	334-341	8
β-strand	345-348	4	1
β-strand	353	1	2
β-strand	358	1	2
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	445-462	18
β-strand	466	1	3
β-strand	474	1	3
α-helix	483-498	16
α-helix	502-504	3

Chain B: 18 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	149-157	9
α-helix	161-182	22
β-strand	193-194	2	4
α-helix	200-203	4
β-strand	211-219	9	4
β-strand	223-227	5	4
β-strand	234-239	6	4
α-helix	247-251	5
β-strand	252-253	2	4
β-strand	256-257	2	4
α-helix	259-274	16
β-strand	282-284	3	4
α-helix	285-288	4
β-strand	293-298	6	4
β-strand	304-314	11	4
α-helix	317-319	3
α-helix	320-322	3
α-helix	334-340	7
β-strand	345-348	4	4
β-strand	363-366	4	4
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	5
β-strand	474	1	5
α-helix	483-498	16
α-helix	502-504	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Cyclic GMP-AMP synthase	A, B	protein	447	Mus musculus	Q8C6L5 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7BUJ_1 Cyclic GMP-AMP synthase (chains A, B)
PRVHPARATELTKDAQPSAMDAAGATARPAVRVPQQQAILDPELPAVREPQPPADPEARK
VVRGPSHRRGARSTGQPRAPRGSRKEPDKLKKVLDKLRLKRKDISEAAETVNKVVERLLR
RMQKRESEFKGVEQLNTGSYYEHVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFK
RIPRGNPLSHFLEGEVLSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVTLLIRN
PEEISVDIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPFYLVPKNAKDGNSFQG
ETWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRKECLKLMKYLLEQLKKEFQELDAFCS
YHVKTAIFHMWTQDPQDSQWDPRNLSSCFDKLLAFFLECLRTEKLDHYFIPKFNLFSQEL
IDRKSKEFLSKKIEYERNNGFPIFDKL

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2
GTP	Guanosine-5'-triphosphate	C10 H16 N5 O14 P3	2
5GP	Guanosine-5'-monophosphate	C10 H14 N5 O8 P	2
MN	Manganese (II) ion	Mn	4

Primary citation

Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP. Zhao, Z., Ma, Z., Wang, B. et al. Cell Rep (2020) 32:108053-108053. DOI 10.1016/j.celrep.2020.108053 · 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
5XZE 2.18 Å, Mouse cGAS bound to the inhibitor RU332

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