6J3O

Crystal structure of the human PCAF bromodomain in complex with compound 12

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Histone acetyltransferase KAT2B	polymer	140	16644.0	2	UniProt (Q92831) Pfam (PF00439) In PDB	Homo sapiens (Human)	Histone acetyltransferase PCAF,Histone acetylase PCAF,Lysine acetyltransferase 2B,P300/CBP-associated factor,P/CAF,Spermidine acetyltransferase KAT2B
2	A, B	3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one	non-polymer		261.3	2	Chemie (B4L)
3		water	water		18.0	44	Chemie (HOH)

Sequence modifications

A, B: 715 - 831 (UniProt: Q92831)

PDB	External Database	Details
Met 692	-	initiating methionine
His 693	-	expression tag
His 694	-	expression tag
His 695	-	expression tag
His 696	-	expression tag
His 697	-	expression tag
His 698	-	expression tag
Ser 699	-	expression tag
Ser 700	-	expression tag
Gly 701	-	expression tag
Val 702	-	expression tag
Asp 703	-	expression tag
Leu 704	-	expression tag
Gly 705	-	expression tag
Thr 706	-	expression tag
Glu 707	-	expression tag
Asn 708	-	expression tag
Leu 709	-	expression tag
Tyr 710	-	expression tag
Phe 711	-	expression tag
Gln 712	-	expression tag
Ser 713	-	expression tag
Met 714	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	33288.1
Non-Polymers*	Number of molecules	2
	Total formula weight	522.6
All*	Total formula weight	33810.7

*Water molecules are not included.