8A9K

Cryo-EM structure of USP1-UAF1 bound to FANCI and mono-ubiquitinated FANCD2 with ML323 (consensus reconstruction)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Fanconi anemia group I protein	polymer	1335	150459.1	1	UniProt (Q9NVI1) Pfam (PF14674) Pfam (PF14675) Pfam (PF14679) Pfam (PF14676) Pfam (PF14680) Pfam (PF14677) Pfam (PF14678)	Homo sapiens (human)	Protein FACI
2	B (B)	Fanconi anemia group D2 protein	polymer	1455	164623.8	1	UniProt (Q9BXW9) Pfam (PF14631)	Homo sapiens (human)	Protein FACD2
3	C (C)	Polyubiquitin-C	polymer	80	8875.1	1	UniProt (P0CG48) Pfam (PF00240)	Homo sapiens (human)
4	D (D)	Ubiquitin carboxyl-terminal hydrolase 1	polymer	786	88390.3	1	UniProt (O94782) Pfam (PF00443)	Homo sapiens (human)	Deubiquitinating enzyme 1,hUBP,Ubiquitin thioesterase 1,Ubiquitin-specific-processing protease 1
5	E (E)	WD repeat-containing protein 48	polymer	694	78300.7	1	UniProt (Q8TAF3) Pfam (PF00400) Pfam (PF11816)	Homo sapiens (human)	USP1-associated factor 1,WD repeat endosomal protein,p80
6	F, G (S, T)	DNA (61-MER)	polymer	29	5177.8	2		synthetic construct
7	H (D)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
8	I (D)	5-methyl-2-(2-propan-2-ylphenyl)-~{N}-[[4-(1,2,3-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine	non-polymer		384.5	1	Chemie (JDA)

Sequence modifications

A: 1 - 1328 (UniProt: Q9NVI1)

PDB	External Database	Details
Met -6	-	initiating methionine
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

B: 1 - 1451 (UniProt: Q9BXW9)

PDB	External Database	Details
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

C: 1 - 76 (UniProt: P0CG48)

PDB	External Database	Details
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

D: 1 - 785 (UniProt: O94782)

PDB	External Database	Details
Gly 0	-	expression tag
Ser 90	Cys 90	engineered mutation
Ala 670	Gly 670	engineered mutation
Ala 671	Gly 671	engineered mutation

E: 1 - 677 (UniProt: Q8TAF3)

PDB	External Database	Details
Met -16	-	initiating methionine
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Val -7	-	expression tag
Leu -6	-	expression tag
Phe -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	501004.6
Non-Polymers*	Number of molecules	2
	Total formula weight	449.9
All*	Total formula weight	501454.5

*Water molecules are not included.