3KYC

Human SUMO E1 complex with a SUMO1-AMP mimic

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	SUMO-activating enzyme subunit 1	polymer	346	38499.8	1	UniProt (Q9UBE0) Pfam (PF00899) In PDB	Homo sapiens (human)	Ubiquitin-like 1-activating enzyme E1A
2	B	SUMO-activating enzyme subunit 2	polymer	660	73502.0	1	UniProt (Q9UBT2) Pfam (PF00899) Pfam (PF14732) Pfam (PF16195) In PDB	Homo sapiens (human)	Ubiquitin-like 1-activating enzyme E1B, Anthracycline-associated resistance ARX
3	D	Small ubiquitin-related modifier 1	polymer	97	11151.6	1	UniProt (P63165) Pfam (PF11976) In PDB	Homo sapiens (human)	SUMO-1, Sentrin, Ubiquitin-like protein SMT3C, SMT3 homolog 3, Ubiquitin-homology domain protein PIC1, Ubiquitin-like protein UBL1, GAP-modifying protein 1, GMP1
4	B	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5	D	5'-deoxy-5'-(sulfamoylamino)adenosine	non-polymer		345.3	1	Chemie (JZU)
6		water	water		18.0	253	Chemie (HOH)

Sequence modifications

B: 1 - 640 (UniProt: Q9UBT2)

PDB	External Database	Details
Met -19	-	expression tag
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
Cys 229	Ser 229	variant

D: 1 - 97 (UniProt: P63165)

PDB	External Database	Details
Cys 95	Thr 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	123153.3
Non-Polymers*	Number of molecules	2
	Total formula weight	410.7
All*	Total formula weight	123564.1

*Water molecules are not included.