Crystal structure of a low occupancy fragment candidate (5-[(4- ISOPROPYLPHENYL)AMINO]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain

Structure

x-ray diffraction · 1 distinct chain.

Ligands and binding sites

• 6T5 · 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one · ligand · chains A
• ZN · Zinc ion · metal · 3 copies · chains A
• NA · Sodium ion · metal · chains A
• UNX · Unknown atom or ion · ion · 33 copies · chains A
• FMT · Formic acid · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

• 5KH9 · Crystal structure of a low occupancy fragment candidate… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9UBN7 · AlphaFold monomer V2.0 prediction for histone deacetylase 6 (Q9UBN7) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q9UBN7
• Elsewhere: RCSB PDB 5KH9 · PDBe 5KH9 · UniProt Q9UBN7