MolNFT v1 · #36171 · protein

Making protein-protein interactions drugable: discovery of low- molecular-weight ligands for the AF6 PDZ domain

2EXG · Afadin: “Making protein-protein interactions drugable: discovery of low- molecular-weight ligands for the AF6 PDZ…”. Solution nmr, 1 ligand (STF), 1 pocket (best druggability 0.49). MolNFT v1 #36171 on GenesisL1: 3D structure…

PDB: 2EXG
Type: protein
Length: 101 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Afadin
UniProt: P55196
Ligands: STF
Pockets: 1 · best druggability 0.49

Structure

solution nmr · 1 distinct chain · 13% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Afadin	protein	101	13% helix, 32% strand	P55196

Ligands and binding sites

STF · (5R)-2-sulfanyl-5-[4-(trifluoromethyl)benzyl]-1,3-thiazol-4-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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	138	0.49	0.79	23	empty

Compared structures

2EXG · Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands… · the same entry in another collection · chain A against A, TM-score 1.00
P55196 · AlphaFold monomer V2.0 prediction for afadin (P55196) · a predicted model of the same protein · chain A against A, TM-score 0.63

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P55196
Elsewhere: RCSB PDB 2EXG · PDBe 2EXG · UniProt P55196

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.