7CJT

Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	D, A, B, C	Histone-lysine N-methyltransferase SETDB1	polymer	240	27613.6	4	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	D, A, B, C	2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one	non-polymer		469.6	4	Chemie (G09)
3		water	water		18.0	15	Chemie (HOH)

Sequence modifications

D, A, B, C: 190 - 410 (UniProt: Q15047)

PDB	External Database	Details
Gly 171	-	expression tag
Ser 172	-	expression tag
Ser 173	-	expression tag
His 174	-	expression tag
His 175	-	expression tag
His 176	-	expression tag
His 177	-	expression tag
His 178	-	expression tag
His 179	-	expression tag
Ser 180	-	expression tag
Ser 181	-	expression tag
Gly 182	-	expression tag
Glu 183	-	expression tag
Asn 184	-	expression tag
Leu 185	-	expression tag
Tyr 186	-	expression tag
Phe 187	-	expression tag
Gln 188	-	expression tag
Gly 189	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	110454.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1878.3
All*	Total formula weight	112332.5

*Water molecules are not included.