4Q0N

Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Protein polybromo-1	polymer	145	17119.7	8	UniProt (Q86U86) Pfam (PF00439)	Homo sapiens (human)	hPB1, BRG1-associated factor 180, BAF180, Polybromo-1D
2	I, L, N, P, Q... (A, C, D, E, F...)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
3	J, K, M, O, R... (A, B, C, D, E...)	(2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one	non-polymer		269.3	8	Chemie (2XD)
4	AA, BA, CA, DA, EA... (B, C, D, E, F...)	water	water		18.0	545	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H: 613 - 734 (UniProt: Q86U86)

PDB	External Database	Details
Met 590	-	expression tag
His 591	-	expression tag
His 592	-	expression tag
His 593	-	expression tag
His 594	-	expression tag
His 595	-	expression tag
His 596	-	expression tag
Ser 597	-	expression tag
Ser 598	-	expression tag
Gly 599	-	expression tag
Val 600	-	expression tag
Asp 601	-	expression tag
Leu 602	-	expression tag
Gly 603	-	expression tag
Thr 604	-	expression tag
Glu 605	-	expression tag
Asn 606	-	expression tag
Leu 607	-	expression tag
Tyr 608	-	expression tag
Phe 609	-	expression tag
Gln 610	-	expression tag
Ser 611	-	expression tag
Met 612	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	136957.4
Non-Polymers*	Number of molecules	17
	Total formula weight	2713.0
All*	Total formula weight	139670.4

*Water molecules are not included.