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Mcgas bound with pgpa

Analyse Mcgas bound with pgpa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7BUM
Type: protein
Length: 722 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cyclic gmp-AMP synthase
EC: 2.7.7.86
UniProt: Q8C6L5
Ligands: A, 5GP, ZN
Pockets: 9 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cyclic gmp-AMP synthase (EC 2.7.7.86)	protein	361	38% helix, 15% strand	Q8C6L5

Ligands and binding sites

A · Adenosine-5'-monophosphate · ligand · 2 copies · chains A, B
5GP · Guanosine-5'-monophosphate · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1029	0.86	0.87	109	A, 5GP
2	894	0.74	0.78	63	A, 5GP
3	50	0.61	0.93	12	empty
4	91	0.54	0.85	16	empty
5	192	0.50	0.77	27	empty

Interfaces

1 interface between chains.

A–B · 1139 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

7BUM · mcGAS bound with pGpA · the same entry in another collection · chain B against B, TM-score 1.00
Q8C6L5 · AlphaFold monomer V2.0 prediction for cyclic gmp-AMP synthase (Q8C6L5) · a predicted model of the same protein · chain B against A, TM-score 0.97

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 7BUM · PDBe 7BUM · UniProt Q8C6L5

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