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Structure of mouse cgas bound to an 18BP DNA and cgas product

Analyse Structure of mouse cgas bound to an 18BP DNA and cgas product in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4LEZ
Type: protein + DNA
Length: 790 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cyclic gmp-AMP synthase; 18BP dsdna
EC: 2.7.7.-
UniProt: Q8C6L5
Ligands: 1SY, ZN
Pockets: 10 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Cyclic gmp-AMP synthase (EC 2.7.7.-)	protein	359	44% helix, 17% strand	Q8C6L5
E, F, I, J	18BP dsdna	dna	18	—	—

Ligands and binding sites

1SY · cGAMP · ligand · 2 copies · chains A, C
ZN · Zinc ion · metal · 2 copies · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	960	0.83	0.85	81	empty
2	798	0.75	0.79	64	1SY
3	99	0.74	0.96	17	empty
4	759	0.72	0.78	58	1SY
5	643	0.66	0.76	33	empty

Interfaces

11 interfaces between chains.

A–C · 878 Å² buried · 16 hydrogen bonds · protein-protein
I–J · 805 Å² buried · 66 hydrogen bonds · nucleic-nucleic
E–F · 801 Å² buried · 65 hydrogen bonds · nucleic-nucleic
A–E · 443 Å² buried · 6 hydrogen bonds · protein-nucleic
C–I · 419 Å² buried · 7 hydrogen bonds · protein-nucleic

Compared structures

4LEZ · Structure of mouse cGAS bound to an 18bp DNA and cGAS product · the same entry in another collection · chain J against J, TM-score 1.00
Q8C6L5 · AlphaFold monomer V2.0 prediction for cyclic gmp-AMP synthase (Q8C6L5) · a predicted model of the same protein · chain C against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q8C6L5
Elsewhere: RCSB PDB 4LEZ · PDBe 4LEZ · UniProt Q8C6L5

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