5KCH

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

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 SETDB1	polymer	225	26337.3	1	UniProt (Q15047) Pfam (PF18300) Pfam (PF18359) Pfam (PF18358)	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	AA, B, BA, C, CA... (A)	UNKNOWN ATOM OR ION	non-polymer		322.4	50	Chemie (UNX)
3	ZA (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
4	AB, BB (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	CB (A)	4-methoxy-N-[(pyridin-2-yl)methyl]aniline	non-polymer		214.3	1	Chemie (6RN)
6	DB (A)	water	water		18.0	115	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	54
	Total formula weight	16602.4
All*	Total formula weight	42939.8

*Water molecules are not included.