3MTN

Usp21 in complex with a ubiquitin-based, USP21-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, C	Ubiquitin carboxyl-terminal hydrolase 21	polymer	373	41981.7	2	UniProt (Q9UK80) Pfam (PF00443) In PDB	Homo sapiens (human)	Ubiquitin thioesterase 21, Ubiquitin-specific-processing protease 21, Deubiquitinating enzyme 21
2	B, D	UBIQUITIN VARIANT UBV.21.4	polymer	85	9311.6	2	UniProt (P62988) Pfam (PF00240) UniProt (by SIFTS) (P0CG48) In PDB	Homo sapiens (Human)	UBA80, UBCEP1
3	A, C	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, C	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
5	A, C	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6		water	water		18.0	43	Chemie (HOH)

Sequence modifications

A, C: 209 - 562 (UniProt: Q9UK80)

PDB	External Database	Details
Met 190	-	expression tag
Gly 191	-	expression tag
Ser 192	-	expression tag
Ser 193	-	expression tag
His 194	-	expression tag
His 195	-	expression tag
His 196	-	expression tag
His 197	-	expression tag
His 198	-	expression tag
His 199	-	expression tag
Ser 200	-	expression tag
Ser 201	-	expression tag
Gly 202	-	expression tag
Leu 203	-	expression tag
Val 204	-	expression tag
Pro 205	-	expression tag
Arg 206	-	expression tag
Gly 207	-	expression tag
Ser 208	-	expression tag

B, D: 1 - 76 (UniProt: P62988)

PDB	External Database	Details
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Trp 64	Glu 64	engineered mutation
Phe 68	His 68	engineered mutation
Leu 70	Val 70	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	4
	Total formula weight	102586.5
Non-Polymers*	Number of molecules	8
	Total formula weight	456.8
All*	Total formula weight	103043.3

*Water molecules are not included.