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MolNFT v1 · #172646 · protein

Wt sting in complex with 3',3'-C-DI[2'FDAM(PS)]

7A90 · Stimulator of interferon protein: “Wt sting in complex with 3',3'-C-DI[2'FDAM(PS)]”. X-ray diffraction, 1 ligand (R4T), 1 pocket (best druggability 0.40). MolNFT v1 #172646 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7A90
Type
protein
Length
170 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Stimulator of interferon protein
UniProt
A0A2R3XZB7
Ligands
R4T
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStimulator of interferon proteinprotein17036% helix, 26% strandA0A2R3XZB7

Ligands and binding sites

  • R4T · 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R}, 17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$L^{5},12$L^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.400.7422empty

Compared structures

  • 7A90 · WT STING in complex with 3',3'-c-di[2'FdAM(PS)] · the same entry in another collection · chain A against A, TM-score 1.00

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