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Human wtsting in complex with 3',3'-cgamp

Analyse Human wtsting in complex with 3',3'-cgamp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YDZ
Type
protein
Length
176 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Stimulator of interferon protein
UniProt
A0A2R3XZB7
Ligands
4BW
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStimulator of interferon proteinprotein17643% helix, 22% strandA0A2R3XZB7

Ligands and binding sites

  • 4BW · 2-amino-9-[(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-D:3',2'-J][1,3,7,9, 2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one · 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
11330.400.74244BW

Compared structures

  • 6YDZ · Human wtSTING in complex with 3',3'-cGAMP · the same entry in another collection · chain A against A, TM-score 1.00

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