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MolNFT v1 · #171326 · protein

Human wtsting in complex with 3',3'-C-di-AMP

6Z15 · Stimulator of interferon protein: “Human wtsting in complex with 3',3'-C-di-AMP”. X-ray diffraction, 1 ligand (2BA), 1 pocket (best druggability 0.41). MolNFT v1 #171326 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6Z15
Type
protein
Length
179 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Stimulator of interferon protein
UniProt
A0A2R3XZB7
Ligands
2BA
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStimulator of interferon proteinprotein17947% helix, 26% strandA0A2R3XZB7

Ligands and binding sites

  • 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · 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
11440.410.74242BA

Compared structures

  • 6Z15 · Human wtSTING in complex with 3',3'-c-di-AMP · the same entry in another collection · chain A against A, TM-score 1.00

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