5KCO

SETDB1 in complex with an early stage, low affinity fragment candidate modelled at reduced occupancy

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Histone-lysine N-methyltransferase SETDB1	polymer	225	26337.3	1	UniProt (Q15047) Pfam (PF18300) Pfam (PF18359) Pfam (PF18358) In PDB	Homo sapiens (Human)	ERG-associated protein with SET domain,ESET,Histone H3-K9 methyltransferase 4,H3-K9-HMTase 4,Lysine N-methyltransferase 1E,SET domain bifurcated 1
2	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	A	~{N}-(4-chlorophenyl)methanesulfonamide	non-polymer		205.7	1	Chemie (6RO)
4	A	UNKNOWN ATOM OR ION	non-polymer		96.1	47	Chemie (UNX)
5	A	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
6		water	water		18.0	143	Chemie (HOH)

Sequence modifications

A: 196 - 403 (UniProt: Q15047)

PDB	External Database	Details
Met 179	-	initiating methionine
His 180	-	expression tag
His 181	-	expression tag
His 182	-	expression tag
His 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag
Ser 186	-	expression tag
Ser 187	-	expression tag
Gly 188	-	expression tag
Arg 189	-	expression tag
Glu 190	-	expression tag
Asn 191	-	expression tag
Leu 192	-	expression tag
Tyr 193	-	expression tag
Phe 194	-	expression tag
Gln 195	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	26337.3
Non-Polymers*	Number of molecules	53
	Total formula weight	5147.1
All*	Total formula weight	31484.5

*Water molecules are not included.