7QI0

Crystal structure of KLK6 in complex with compound DKFZ918

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Kallikrein-6	polymer	223	24417.7	2	UniProt (Q92876) Pfam (PF00089)	Homo sapiens (human)	Neurosin,Protease M,SP59,Serine protease 18,Serine protease 9,Zyme
2	C, D (A, B)	(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide	non-polymer		417.5	2	Chemie (C9I)
3	E, F (A, B)	water	water		18.0	158	Chemie (HOH)

Sequence modifications

A, B: 16 - 247 (UniProt: Q92876)

PDB	External Database	Details
Gly 74	Arg 78	engineered mutation
Gln 76	Arg 80	engineered mutation
Gln 132	Asn 134	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	48835.4
Non-Polymers*	Number of molecules	2
	Total formula weight	834.9
All*	Total formula weight	49670.3

*Water molecules are not included.