8D0A

Crystal structure of human USP30 in complex with a covalent inhibitor 829 and a Fab

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Ubiquitin carboxyl-terminal hydrolase 30	polymer	349	40159.3	1	UniProt (Q70CQ3) Pfam (PF00443)	Homo sapiens (human)	Deubiquitinating enzyme 30,Ubiquitin thioesterase 30,Ubiquitin-specific-processing protease 30,Ub-specific protease 30
2	B (H)	mouse anti-huUSP30 Fab heavy chain	polymer	222	23822.4	1		Mus musculus
3	C (L)	mouse anti-huUSP30 Fab light chain	polymer	214	23653.0	1		Mus musculus
4	D (A)	~{N}-[(1~{R},2~{R},4~{S},7~{E})-7-[azanyl(sulfanyl)methylidene]-7$l^{4}-azabicyclo[2.2.1]heptan-2-yl]-2-chloranyl-4-(6-cyclopropylpyrazin-2-yl)benzamide	non-polymer		429.0	1	Chemie (PKH)
5	E (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6	F, G, H (A, H, L)	water	water		18.0	19	Chemie (HOH)

Sequence modifications

A: 64 - 178 (UniProt: Q70CQ3)

PDB	External Database	Details
Met 63	-	initiating methionine

A: 217 - 357 (UniProt: Q70CQ3)

PDB	External Database	Details
Gly 179	-	linker
Ser 180	-	linker
Gly 181	-	linker
Ser 182	-	linker
Asp 348	Phe 348	engineered mutation
Ser 350	Met 350	engineered mutation
Glu 353	Ile 353	engineered mutation

A: 432 - 502 (UniProt: Q70CQ3)

PDB	External Database	Details
Ser 358	-	linker
Asn 359	-	linker
Ala 360	-	linker
Leu 503	-	expression tag
Glu 504	-	expression tag
Val 505	-	expression tag
Leu 506	-	expression tag
Phe 507	-	expression tag
Gln 508	-	expression tag
Gly 509	-	expression tag
Pro 510	-	expression tag
His 511	-	expression tag
His 512	-	expression tag
His 513	-	expression tag
His 514	-	expression tag
His 515	-	expression tag
His 516	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	87634.8
Non-Polymers*	Number of molecules	2
	Total formula weight	494.4
All*	Total formula weight	88129.1

*Water molecules are not included.