4NNJ

Crystal structure of Uba1 in complex with ubiquitin-AMP and thioesterified ubiquitin

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-activating enzyme E1 1	polymer	1040	116304.9	2	UniProt (P22515) Pfam (PF00899) Pfam (PF16190) Pfam (PF16191) Pfam (PF10585) Pfam (PF09358) In PDB	Saccharomyces cerevisiae (Baker's yeast)
2	B, D, E	Uba1	polymer	79	8798.0	3	UniProt (P0CG63) Pfam (PF00240) In PDB	Saccharomyces cerevisiae (Baker's yeast)	Ubiquitin
3	A, C	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
4	C, A	GLYCEROL	non-polymer		92.1	29	Chemie (GOL)
5	D, B	ADENOSINE MONOPHOSPHATE	non-polymer		347.2	2	Chemie (AMP)
6		water	water		18.0	1020	Chemie (HOH)

Sequence modifications

A, C: 9 - 1024 (UniProt: P22515)

PDB	External Database	Details
Met -15	-	expression tag
Gly -14	-	expression tag
Ser -13	-	expression tag
Ser -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Ser -5	-	expression tag
Ser -4	-	expression tag
Gly -3	-	expression tag
Glu -2	-	expression tag
Asn -1	-	expression tag
Leu 0	-	expression tag
Tyr 1	-	expression tag
Phe 2	-	expression tag
Gln 3	-	expression tag
Gly 4	-	expression tag
Ser 5	-	expression tag
His 6	-	expression tag
Met 7	-	expression tag
Ala 8	-	expression tag

B, D, E: 1 - 76 (UniProt: P0CG63)

PDB	External Database	Details
Ser -2	-	expression tag
Ala -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	259003.8
Non-Polymers*	Number of molecules	35
	Total formula weight	3749.4
All*	Total formula weight	262753.3

*Water molecules are not included.