MolNFT v1 · #166226 · protein

Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-myc interaction

6UJJ · Wd repeat-containing protein 5: “Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-myc interaction”. X-ray diffraction, 1 ligand (QBP), 1 pocket (best druggability 0.75). MolNFT v1 #166226 on…

PDB: 6UJJ
Type: protein
Length: 305 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Wd repeat-containing protein 5
UniProt: P61964
Ligands: QBP
Pockets: 1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Wd repeat-containing protein 5	protein	305	0% helix, 51% strand	P61964

Ligands and binding sites

QBP · 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	671	0.75	0.81	59	empty

Compared structures

6UJJ · Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the… · the same entry in another collection · chain A against A, TM-score 1.00

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 P61964
Elsewhere: RCSB PDB 6UJJ · PDBe 6UJJ · UniProt P61964

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