6YX2

Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid

Summary for 6YX2

Entry DOI	10.2210/pdb6yx2/pdb
Related	6YWZ 6YX0 6YX1
Descriptor	SH3 and multiple ankyrin repeat domains protein 1, PWW-THR-ARG-LEU, 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid, ... (4 entities in total)
Functional Keywords	protein protein interactions, pdz domain hybrid structures, fragment-based drug discovery, beta-sheets, acylhydrazone, peptide binding protein
Biological source	Homo sapiens (Human) More
Total number of polymer chains	4
Total formula weight	25986.03
Authors	Hegedus, Z.,Hobor, F.,Shoemark, D.K.,Celis, S.,Lian, L.J.,Trinh, C.H.,Sessions, R.B.,Edwards, T.A.,Wilson, A.J. (deposition date: 2020-04-30, release date: 2021-01-20, Last modification date: 2024-01-24)
Primary citation	Hegedus, Z.,Hobor, F.,Shoemark, D.K.,Celis, S.,Lian, L.Y.,Trinh, C.H.,Sessions, R.B.,Edwards, T.A.,Wilson, A.J. Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12:2286-2293, 2021 Cited by PubMed: 34163995 DOI: 10.1039/d0sc05694d PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.62 Å)

Structure validation