5LSU

Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Histone-lysine N-methyltransferase NSD2	polymer	252	28786.8	2	UniProt (O96028) Pfam (PF17907) Pfam (PF00856)	Homo sapiens (Human)	Multiple myeloma SET domain-containing protein,MMSET,Nuclear SET domain-containing protein 2,NSD2,Protein trithorax-5,Wolf-Hirschhorn syndrome candidate 1 protein,WHSC1
2	C, D, E, G, H... (A, B)	ZINC ION	non-polymer		65.4	6	Chemie (ZN)
3	F, J (A, B)	S-ADENOSYLMETHIONINE	non-polymer		398.4	2	Chemie (SAM)
4	K, L (A, B)	water	water		18.0	528	Chemie (HOH)

Sequence modifications

A, B: 973 - 1203 (UniProt: O96028)

PDB	External Database	Details
Met 952	-	initiating methionine
Gly 953	-	expression tag
Ser 954	-	expression tag
Ser 955	-	expression tag
His 956	-	expression tag
His 957	-	expression tag
His 958	-	expression tag
His 959	-	expression tag
His 960	-	expression tag
His 961	-	expression tag
Ser 962	-	expression tag
Ser 963	-	expression tag
Gly 964	-	expression tag
Leu 965	-	expression tag
Val 966	-	expression tag
Pro 967	-	expression tag
Arg 968	-	expression tag
Gly 969	-	expression tag
Ser 970	-	expression tag
His 971	-	expression tag
Met 972	-	expression tag
Leu 975	Gln 975	engineered mutation
Leu 978	Ala 978	engineered mutation
Leu 1071	Asp 1071	engineered mutation
Gln 1072	Gly 1072	engineered mutation
Arg 1073	Lys 1073	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57573.7
Non-Polymers*	Number of molecules	8
	Total formula weight	1189.3
All*	Total formula weight	58763.0

*Water molecules are not included.