Research workbench

Structure of the 1:1 cgas-nucleosome complex

Analyse Structure of the 1:1 cgas-nucleosome complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7CCQ
Type: protein + DNA
Length: 1,395 residues
Chains: 11
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Histone H3.1; Histone H4; Histone H2A type 1-B/E; Histone H2B type 1-J; Cyclic gmp-AMP…
EC: 2.7.7.86
UniProt: P68431, P04908, P06899, Q8N884
Pockets: 20 · best druggability 0.81

Structure

electron microscopy · 11 distinct chains · 58% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Histone H3.1	protein	95	69% helix, 4% strand	P68431
B	Histone H4	protein	79	65% helix, 9% strand	—
C	Histone H2A type 1-B/E	protein	102	56% helix, 6% strand	P04908
D	Histone H2B type 1-J	protein	92	75% helix, 4% strand	P06899
E	Histone H3.1	protein	98	67% helix, 4% strand	P68431
F	Histone H4	protein	79	63% helix, 8% strand	—
G	Histone H2A type 1-B/E	protein	102	57% helix, 7% strand	P04908
H	Histone H2B type 1-J	protein	93	75% helix, 4% strand	P06899
K	Cyclic gmp-AMP synthase (EC 2.7.7.86)	protein	361	42% helix, 13% strand	Q8N884
I	DNA (147-mer)	dna	147	—	—
J	DNA (147-mer)	dna	147	—	—

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	640	0.81	0.86	64	empty
2	286	0.76	0.89	44	empty
3	750	0.76	0.81	50	empty
4	225	0.72	0.88	34	empty
5	701	0.69	0.77	47	empty

Interfaces

41 interfaces between chains.

I–J · 6604 Å² buried · 620 hydrogen bonds · nucleic-nucleic
G–H · 2630 Å² buried · 17 hydrogen bonds · protein-protein
C–D · 2568 Å² buried · 20 hydrogen bonds · protein-protein
A–B · 2498 Å² buried · 21 hydrogen bonds · protein-protein
E–F · 2488 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

7CCQ · Structure of the 1:1 cGAS-nucleosome complex · the same entry in another collection · chain J against J, TM-score 1.00
P06899 · AlphaFold monomer V2.0 prediction for histone H2B type 1-J (P06899) · a predicted model of the same protein · chain H 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 P68431
Every structure of UniProt P04908
Every structure of UniProt P06899
Every structure of UniProt Q8N884
Elsewhere: RCSB PDB 7CCQ · PDBe 7CCQ · UniProt P68431 · UniProt P04908 · UniProt P06899 · UniProt Q8N884

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.