9DEK

USP7 in complex with macrocycle inhibitor MC02

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 7	polymer	368	42477.0	2	UniProt (Q93009) Pfam (PF00443)	Homo sapiens (human)	Deubiquitinating enzyme 7,Herpesvirus-associated ubiquitin-specific protease,Ubiquitin thioesterase 7,Ubiquitin-specific-processing protease 7
2	C, D (C, D)	Macrocycle peptide MC02	polymer	16	1867.2	2		synthetic construct
3	E, F (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	G, H, I, J (A, B, C, D)	water	water		18.0	487	Chemie (HOH)

Sequence modifications

A, B: 208 - 554 (UniProt: Q93009)

PDB	External Database	Details
Met 187	-	initiating methionine
Gly 188	-	expression tag
Ser 189	-	expression tag
Ser 190	-	expression tag
His 191	-	expression tag
His 192	-	expression tag
His 193	-	expression tag
His 194	-	expression tag
His 195	-	expression tag
His 196	-	expression tag
Ser 197	-	expression tag
Ser 198	-	expression tag
Gly 199	-	expression tag
Leu 200	-	expression tag
Val 201	-	expression tag
Pro 202	-	expression tag
Arg 203	-	expression tag
Gly 204	-	expression tag
Ser 205	-	expression tag
His 206	-	expression tag
Met 207	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	88688.4
Non-Polymers*	Number of molecules	2
	Total formula weight	184.2
All*	Total formula weight	88872.5

*Water molecules are not included.