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Crystal structure of human sting (G230A, H232R, R293Q) in complex with compound 18

Analyse Crystal structure of human sting (G230A, H232R, R293Q) in complex with compound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MXE
Type
protein
Length
333 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q86WV6
Ligands
K5S, CA

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein164—Q86WV6
B—protein169—Q86WV6

Ligands and binding sites

  • K5S · [(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid · ligand · 2 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains B

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

Compared structures

  • 6MXE · Crystal structure of human STING (G230A, H232R, R293Q) in complex with Compound 18 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q86WV6 · AlphaFold monomer V2.0 prediction for stimulator of interferon genes protein (Q86WV6) · a predicted model of the same protein · chain A against A, TM-score 0.95

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