6CWY

Crystal structure of SUMO E1 in complex with an allosteric 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)	SUMO-activating enzyme subunit 1	polymer	346	38499.8	1	UniProt (Q9UBE0) Pfam (PF00899)	Homo sapiens (Human)	Ubiquitin-like 1-activating enzyme E1A
2	B (D)	SUMO-activating enzyme subunit 2	polymer	660	73485.9	1	UniProt (Q9UBT2) Pfam (PF00899) Pfam (PF14732) Pfam (PF16195)	Homo sapiens (Human)	Anthracycline-associated resistance ARX,Ubiquitin-like 1-activating enzyme E1B,Ubiquitin-like modifier-activating enzyme 2
3	C, D (C)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	E (D)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5	F (D)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	G, H, I, J (D)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
7	K (D)	dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate	non-polymer		421.5	1	Chemie (FHJ)
8	L, M (C, D)	water	water		18.0	45	Chemie (HOH)

Sequence modifications

D: 1 - 640 (UniProt: Q9UBT2)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	111985.7
Non-Polymers*	Number of molecules	9
	Total formula weight	1079.6
All*	Total formula weight	113065.3

*Water molecules are not included.