7QI0

Crystal structure of KLK6 in complex with compound DKFZ918

Summary for 7QI0

Entry DOI	10.2210/pdb7qi0/pdb
Descriptor	Kallikrein-6, (5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide (3 entities in total)
Functional Keywords	serine proteases, peptide binding protein
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	49670.31
Authors	Jagtap, P.K.A.,Baumann, A.,Lohbeck, J.,Isak, D.,Miller, A.,Hennig, J. (deposition date: 2021-12-14, release date: 2022-11-23, Last modification date: 2024-01-31)
Primary citation	Baumann, A.,Isak, D.,Lohbeck, J.,Jagtap, P.K.A.,Hennig, J.,Miller, A.K. Scalable synthesis and structural characterization of reversible KLK6 inhibitors. Rsc Adv, 12:26989-26993, 2022 Cited by PubMed: 36320846 DOI: 10.1039/d2ra04670a PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.88 Å)

Structure validation