6ULV

BRD4-BD1 in complex with the cyclic peptide 4.2_1

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	Bromodomain-containing protein 4	polymer	146	17200.6	4	UniProt (O60885) Pfam (PF00439) In PDB	Homo sapiens (Human)	Protein HUNK1
2	E, G	Cyclic peptide 4.2_3	polymer	16	2095.6	2		synthetic construct
3	A, B, C, D, E...	IODIDE ION	non-polymer		126.9	7	Chemie (IOD)
4	A	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		282.3	1	Chemie (B3P)
5	E, G	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6		water	water		18.0	240	Chemie (HOH)

Sequence modifications

A, B, C, D: 42 - 168 (UniProt: O60885)

PDB	External Database	Details
Gln 36	-	expression tag
Gly 37	-	expression tag
Pro 38	-	expression tag
Leu 39	-	expression tag
Gly 40	-	expression tag
Ser 41	-	expression tag
Pro 169	-	expression tag
Glu 170	-	expression tag
Phe 171	-	expression tag
Pro 172	-	expression tag
Gly 173	-	expression tag
Arg 174	-	expression tag
Leu 175	-	expression tag
Glu 176	-	expression tag
Arg 177	-	expression tag
Pro 178	-	expression tag
His 179	-	expression tag
Arg 180	-	expression tag
Asp 181	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	72993.8
Non-Polymers*	Number of molecules	10
	Total formula weight	1354.8
All*	Total formula weight	74348.6

*Water molecules are not included.