5V3H

Crystal structure of SMYD2 with SAM and EPZ033294

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	N-lysine methyltransferase SMYD2	polymer	444	51028.4	1	UniProt (Q9NRG4) Pfam (PF00856) Pfam (PF01753)	Homo sapiens (Human)	HSKM-B,Histone methyltransferase SMYD2,Lysine N-methyltransferase 3C,SET and MYND domain-containing protein 2
2	B (A)	S-ADENOSYLMETHIONINE	non-polymer		398.4	1	Chemie (SAM)
3	C, D, E (A)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
4	F, G (A)	N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide	non-polymer		411.9	2	Chemie (8WG)
5	H, I (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
6	J (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	K, L (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
8	M (A)	water	water		18.0	129	Chemie (HOH)

Sequence modifications

A: 1 - 433 (UniProt: Q9NRG4)

PDB	External Database	Details
Ser -10	-	expression tag
Ile -9	-	expression tag
Ala -8	-	expression tag
Asp -7	-	expression tag
Tyr -6	-	expression tag
Lys -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Asp -1	-	expression tag
Lys 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	51028.4
Non-Polymers*	Number of molecules	11
	Total formula weight	1876.9
All*	Total formula weight	52905.3

*Water molecules are not included.