8UWP

Crystal structure of SETDB1 Tudor domain in complex with MR46747

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 SETDB1	polymer	225	26337.3	2	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	C, L (A, B)	(3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide	non-polymer		438.0	2	Chemie (XRU)
3	D, E, M, N, O... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	F, G, H, I, Q... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
5	J, K, T (A, B)	UNKNOWN ATOM OR ION	non-polymer		62.1	3	Chemie (UNX)
6	U, V (A, B)	water	water		18.0	197	Chemie (HOH)

Sequence modifications

A, B: 7 - 214 (UniProt: Q15047)

PDB	External Database	Details
Met -10	-	initiating methionine
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Ser -3	-	expression tag
Ser -2	-	expression tag
Gly -1	-	expression tag
Arg 0	-	expression tag
Glu 1	-	expression tag
Asn 2	-	expression tag
Leu 3	-	expression tag
Tyr 4	-	expression tag
Phe 5	-	expression tag
Gln 6	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	52674.7
Non-Polymers*	Number of molecules	18
	Total formula weight	2073.1
All*	Total formula weight	54747.8

*Water molecules are not included.