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Structure of cyclic gmp-AMP synthase (cgas)

Analyse Structure of cyclic gmp-AMP synthase (cgas) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4K8V
Type: protein
Length: 1,448 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cyclic gmp-AMP synthase
EC: 2.7.7.-
UniProt: Q8C6L5
Ligands: ZN
Pockets: 14 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C, A, B, D	Cyclic gmp-AMP synthase (EC 2.7.7.-)	protein	362	43% helix, 17% strand	Q8C6L5

Ligands and binding sites

ZN · Zinc ion · metal · 4 copies · chains C, A, B, D

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

Pockets

14 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	150	0.81	0.97	22	empty
2	868	0.80	0.83	89	empty
3	1032	0.79	0.80	94	empty
4	1041	0.78	0.80	99	empty
5	1061	0.77	0.79	91	empty

Interfaces

4 interfaces between chains.

C–D · 868 Å² buried · 18 hydrogen bonds · protein-protein
C–A · 780 Å² buried · 22 hydrogen bonds · protein-protein
A–B · 422 Å² buried · 4 hydrogen bonds · protein-protein
C–B · 31 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4K8V · Structure of cyclic GMP-AMP Synthase (cGAS) · the same entry in another collection · chain D against D, TM-score 1.00
Q8C6L5 · AlphaFold monomer V2.0 prediction for cyclic gmp-AMP synthase (Q8C6L5) · a predicted model of the same protein · chain D against A, TM-score 0.95

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 4K8V · PDBe 4K8V · UniProt Q8C6L5

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