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Structure of hsting in complex with novel carbocyclic pyrimidine cdn-3

Analyse Structure of hsting in complex with novel carbocyclic pyrimidine cdn-3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7KW1
Type: protein
Length: 179 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Stimulator of interferon genes protein
UniProt: A0A2R3XZB7
Ligands: X4M
Pockets: 1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Stimulator of interferon genes protein	protein	179	44% helix, 26% strand	A0A2R3XZB7

Ligands and binding sites

X4M · (2r,5r,7r,8r,10r,12ar,14r,15as,16r)-7-(2-amino-6-oxo-1, 6-dihydro-9H-purin-9-yl)-16-hydroxy-14-[(pyrimidin-4-yl)oxy]-2,10-disulfanyldecahydro-2H,10H-5,8-methano-2lambda~5~,10lambda~5~-cyclopenta[l][1,3,6,9,11,2, 10]pentaoxadiphosphacyclotetradecine-2,10-dione · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	163	0.45	0.75	24	X4M

Compared structures

7KW1 · Structure of hSTING in complex with novel carbocyclic pyrimidine CDN-3 · the same entry in another collection · chain A against A, TM-score 1.00

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 A0A2R3XZB7
Elsewhere: RCSB PDB 7KW1 · PDBe 7KW1 · UniProt A0A2R3XZB7

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