9FOC

Crystal structure of the PWWP1 domain of NSD2 bound by compound 11.

This is a non-PDB format compatible entry.

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	176	19622.3	2	UniProt (O96028) Pfam (PF00855)	Homo sapiens (human)	Multiple myeloma SET domain-containing protein,MMSET,Nuclear SET domain-containing protein 2,Protein trithorax-5,Wolf-Hirschhorn syndrome candidate 1 protein
2	C, F (A, B)	(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide	non-polymer		381.5	2	Chemie (A1IFS)
3	D, E (A, B)	(2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide	non-polymer		381.5	2	Chemie (A1IEG)
4	G, H (A, B)	water	water		18.0	194	Chemie (HOH)

Sequence modifications

A, B: 208 - 368 (UniProt: O96028)

PDB	External Database	Details
Met 204	-	initiating methionine
Gly 205	-	expression tag
Gly 206	-	expression tag
Gly 207	-	expression tag
Gly 369	-	expression tag
Gly 370	-	expression tag
Gly 371	-	expression tag
Glu 372	-	expression tag
Asn 373	-	expression tag
Leu 374	-	expression tag
Tyr 375	-	expression tag
Phe 376	-	expression tag
Gln 377	-	expression tag
Gly 378	-	expression tag
Ser 379	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	39244.7
Non-Polymers*	Number of molecules	4
	Total formula weight	1526.0
All*	Total formula weight	40770.7

*Water molecules are not included.