3KYD

Human SUMO E1~SUMO1-AMP tetrahedral intermediate 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	551	61562.2	1	UniProt (Q9UBT2) Pfam (PF00899) Pfam (PF14732) In PDB	Homo sapiens (human)	Ubiquitin-like 1-activating enzyme E1B, Anthracycline-associated resistance ARX
3	D	Small ubiquitin-related modifier 1	polymer	115	13208.8	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	A, D	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5	B	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6	D	5'-{[(3-aminopropyl)sulfonyl]amino}-5'-deoxyadenosine	non-polymer		387.4	1	Chemie (VMX)
7		water	water		18.0	215	Chemie (HOH)

Sequence modifications

B: 1 - 549 (UniProt: Q9UBT2)

PDB	External Database	Details
Ser -1	-	expression tag
Leu 0	-	expression tag
Cys 229	Ser 229	variant

D: 1 - 96 (UniProt: P63165)

PDB	External Database	Details
Met -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Cys 95	Thr 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	113270.9
Non-Polymers*	Number of molecules	5
	Total formula weight	639.0
All*	Total formula weight	113909.9

*Water molecules are not included.