10AX

Crystal structure of human SMYD1 in complex with Sinefungin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Histone-lysine N-methyltransferase SMYD1	polymer	482	55685.6	1	UniProt (Q8NB12)	Homo sapiens (human)	SET and MYND domain-containing protein 1
2	B, C, D (A)	ZINC ION	non-polymer		65.4	3	Chemie (ZN) PubChem (32051)
3	E (A)	SINEFUNGIN	non-polymer		381.4	1	Chemie (SFG) PubChem (65482)
4	F (A)	UNKNOWN LIGAND	non-polymer			1	Chemie (UNX)
5	G (A)	water	water		18.0	21	Chemie (HOH)

Sequence modifications

A: 7 - 469 (UniProt: Q8NB12)

PDB	External Database	Details
Met -12	-	initiating methionine
Gly -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Leu 1	-	expression tag
Val 2	-	expression tag
Pro 3	-	expression tag
Arg 4	-	expression tag
Gly 5	-	expression tag
Ser 6	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	55685.6
Non-Polymers*	Number of molecules	5
	Total formula weight	577.6
All*	Total formula weight	56263.2

*Water molecules are not included.