9EBS

Cryo-EM structure of USP1-UAF1-Ubiquitin in complex with TNG348

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 (C)	Ubiquitin	polymer	75	8519.8	1	UniProt (P0CG47) Pfam (PF00240) UniProt (by SIFTS) (P0CG48)	Homo sapiens (human)
2	B (D)	WD repeat-containing protein 48	polymer	685	77309.4	1	UniProt (Q8TAF3) Pfam (PF00400) Pfam (PF11816)	Homo sapiens (human)	USP1-associated factor 1,WD repeat endosomal protein,p80
3	C (E)	Ubiquitin carboxyl-terminal hydrolase 1	polymer	786	88406.3	1	UniProt (O94782) Pfam (PF00443)	Homo sapiens (human)	Deubiquitinating enzyme 1,hUBP,Ubiquitin thioesterase 1,Ubiquitin-specific-processing protease 1
4	D (C)	3-(methanesulfonyl)propan-1-amine	non-polymer		137.2	1	Chemie (A1A4Y)
5	E (E)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6	F (E)	2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine	non-polymer		603.5	1	Chemie (A1BHF)

Sequence modifications

D: 1 - 677 (UniProt: Q8TAF3)

PDB	External Database	Details
Asp 678	-	expression tag
Tyr 679	-	expression tag
Lys 680	-	expression tag
Asp 681	-	expression tag
Asp 682	-	expression tag
Asp 683	-	expression tag
Asp 684	-	expression tag
Lys 685	-	expression tag

E: 1 - 785 (UniProt: O94782)

PDB	External Database	Details
Gly 0	-	expression tag
Ala 670	Gly 670	engineered mutation
Ala 671	Gly 671	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	174235.5
Non-Polymers*	Number of molecules	3
	Total formula weight	806.1
All*	Total formula weight	175041.6

*Water molecules are not included.