9EXY

Crystal structure of the PWWP1 domain of NSD2 bound by compound 34.

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	182	20218.8	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, D (A, B)	7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one	non-polymer		417.5	2	Chemie (A1H7Z)
3	E, F (A, B)	water	water		18.0	217	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
Ala 256	Lys 256	engineered mutation
Ala 257	Lys 257	engineered mutation
Ala 304	Lys 304	engineered mutation
Ala 312	Lys 312	engineered mutation
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
His 380	-	expression tag
His 381	-	expression tag
His 382	-	expression tag
His 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	40437.6
Non-Polymers*	Number of molecules	2
	Total formula weight	835.0
All*	Total formula weight	41272.6

*Water molecules are not included.