4II2

Crystal structure of Ubiquitin activating enzyme 1 (Uba1) in complex with the Ub E2 Ubc4, ubiquitin, and ATP/Mg

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-activating enzyme E1 1	polymer	1001	111764.0	1	UniProt (O94609) Pfam (PF00899) Pfam (PF16190) Pfam (PF16191) Pfam (PF10585) Pfam (PF09358)	Schizosaccharomyces pombe (Fission yeast)	Poly(A)+ RNA transport protein 3
2	B (B)	Ubiquitin-60S ribosomal protein L40	polymer	83	9692.9	1	UniProt (P0CH07) Pfam (PF00240)	Schizosaccharomyces pombe (Fission yeast)
3	C (C)	Ubiquitin-conjugating enzyme E2 4	polymer	163	18185.4	1	UniProt (P46595) Pfam (PF00179)	Schizosaccharomyces pombe (Fission yeast)	Ubiquitin carrier protein 4, Ubiquitin-protein ligase 4
4	D, E (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	F (A)	ADENOSINE-5'-TRIPHOSPHATE	non-polymer		507.2	1	Chemie (ATP)
6	G (A)	2-(2-METHOXYETHOXY)ETHANOL	non-polymer		120.1	1	Chemie (PG0)
7	H, I, J, K, L... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
8	N, O, P, R (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
9	S, T, U (A, B, C)	water	water		18.0	568	Chemie (HOH)

Sequence modifications

A: 13 - 1012 (UniProt: O94609)

PDB	External Database	Details
Ser 12	-	expression tag

B: 1 - 76 (UniProt: P0CH07)

PDB	External Database	Details
Met -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Arg 6	Lys 6	engineered mutation
Arg 11	Lys 11	engineered mutation
Arg 27	Lys 27	engineered mutation
Ala 28	Ser 28	engineered mutation
Arg 29	Lys 29	engineered mutation
Arg 33	Lys 33	engineered mutation
Arg 48	Lys 48	engineered mutation
Ala 57	Ser 57	engineered mutation
Arg 63	Lys 63	engineered mutation

C: 1 - 147 (UniProt: P46595)

PDB	External Database	Details
Ser 21	Cys 21	engineered mutation
Ser 107	Cys 107	engineered mutation
His 148	-	expression tag
Gly 149	-	expression tag
Gly 150	-	expression tag
Glu 151	-	expression tag
Gly 152	-	expression tag
Ala 153	-	expression tag
Ala 154	-	expression tag
Ala 155	-	expression tag
Leu 156	-	expression tag
Glu 157	-	expression tag
His 158	-	expression tag
His 159	-	expression tag
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	139642.4
Non-Polymers*	Number of molecules	15
	Total formula weight	1494.7
All*	Total formula weight	141137.1

*Water molecules are not included.