9F19

Human USP30 chimera in complex with NK036 inhibitor

This is a non-PDB format compatible entry.

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)	Ubiquitin carboxyl-terminal hydrolase 30,Ubiquitin carboxyl-terminal hydrolase 14,Ubiquitin carboxyl-terminal hydrolase 35	polymer	317	36126.7	2	UniProt (Q70CQ3) UniProt (P54578) UniProt (Q9P2H5) Pfam (PF00443)	Homo sapiens (human)	Deubiquitinating enzyme 30,Ubiquitin thioesterase 30,Ubiquitin-specific-processing protease 30,Ub-specific protease 30,Deubiquitinating enzyme 14,Ubiquitin thioesterase 14,Ubiquitin-specific-processing protease 14,Deubiquitinating enzyme 35,Ubiquitin thioesterase 35,Ubiquitin-specific-processing protease 35
2	C, D (A, B)	4-fluoranyl-~{N}-[(2~{S})-1-[[4-[(2-methyl-1-oxidanyl-propan-2-yl)sulfamoyl]phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide	non-polymer		513.6	2	Chemie (A1H8X)
3	E, F (A, B)	water	water		18.0	69	Chemie (HOH)

Sequence modifications

A, B: 64 - 178 (UniProt: Q70CQ3)

PDB	External Database	Details
Gly 62	-	expression tag
Pro 63	-	expression tag

A, B: 217 - 224 (UniProt: Q70CQ3)

PDB	External Database	Details
Gly 213	-	linker
Ser 214	-	linker
Gly 215	-	linker
Ser 216	-	linker

A, B: 225 - 248 (UniProt: P54578)
A, B: 249 - 275 (UniProt: Q70CQ3)
A, B: 276 - 301 (UniProt: P54578)
A, B: 318 - 348 (UniProt: Q70CQ3)

PDB	External Database	Details
Asp 348	Phe 348	engineered mutation

A, B: 349 - 361 (UniProt: Q9P2H5)
A, B: 437 - 502 (UniProt: Q70CQ3)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72253.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1027.2
All*	Total formula weight	73280.5

*Water molecules are not included.