3N3K

The catalytic domain of USP8 in complex with a USP8 specific inhibitor

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 8	polymer	396	45418.5	1	UniProt (P40818) Pfam (PF00443)	Homo sapiens (human)	Ubiquitin thioesterase 8, Ubiquitin-specific-processing protease 8, Deubiquitinating enzyme 8, Ubiquitin isopeptidase Y, hUBPy
2	B (B)	Ubiquitin	polymer	85	9267.6	1	UniProt (P62988) Pfam (PF00240) UniProt (by SIFTS) (P0CG48)	Homo sapiens (human)
3	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	D, E (A, B)	water	water		18.0	112	Chemie (HOH)

Sequence modifications

A: 734 - 1110 (UniProt: P40818)

PDB	External Database	Details
Met 715	-	expression tag
Gly 716	-	expression tag
Ser 717	-	expression tag
Ser 718	-	expression tag
His 719	-	expression tag
His 720	-	expression tag
His 721	-	expression tag
His 722	-	expression tag
His 723	-	expression tag
His 724	-	expression tag
Ser 725	-	expression tag
Ser 726	-	expression tag
Gly 727	-	expression tag
Leu 728	-	expression tag
Val 729	-	expression tag
Pro 730	-	expression tag
Arg 731	-	expression tag
Gly 732	-	expression tag
Ser 733	-	expression tag

B: 1 - 76 (UniProt: P62988)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Arg 2	Gln 2	engineered mutation
Val 4	Phe 4	engineered mutation
Met 9	Thr 9	engineered mutation
Arg 11	Lys 11	engineered mutation
Ile 14	Thr 14	engineered mutation
His 62	Gln 62	engineered mutation
Asn 63	Lys 63	engineered mutation
His 64	Glu 64	engineered mutation
Ala 66	Thr 66	engineered mutation
Tyr 68	His 68	engineered mutation
Leu 70	Val 70	engineered mutation
Lys 72	Arg 72	engineered mutation
Gly 77	-	expression tag
Gly 78	-	expression tag
Gly 79	-	expression tag
Gly 80	-	expression tag
Ser 81	-	expression tag
Gly 82	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	54686.1
Non-Polymers*	Number of molecules	1
	Total formula weight	65.4
All*	Total formula weight	54751.5

*Water molecules are not included.