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MolNFT v1 · #170624 · protein

Human wtsting in complex with 2',2'-difluoro-3',3'-C-di-gmp

6YDB · Stimulator of interferon protein: “Human wtsting in complex with 2',2'-difluoro-3',3'-C-di-gmp”. X-ray diffraction, 1 ligand (GGF), 1 pocket (best druggability 0.41). MolNFT v1 #170624 on GenesisL1: 3D structure, binding sites and…

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

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStimulator of interferon proteinprotein17146% helix, 26% strandA0A2R3XZB7

Ligands and binding sites

  • GGF · 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R}, 17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3, 12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$L^{5}, 12$L^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-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
11400.410.7524empty

Compared structures

  • 6YDB · Human wtSTING in complex with 2',2'-difluoro-3',3'-c-di-GMP · the same entry in another collection · chain A against A, TM-score 1.00

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