5POE

PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10188a and N07807b

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Bromodomain-containing protein 1	polymer	156	18224.7	2	UniProt (O95696) Pfam (PF00439) In PDB	Homo sapiens (Human)	BR140-like protein,Bromodomain and PHD finger-containing protein 2
2	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
3	A, B	6-amino-1-methylquinolin-2(1H)-one	non-polymer		174.2	2	Chemie (8T1)
4	B	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5	B	1-methyl-4-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole	non-polymer		223.3	1	Chemie (8T4)
6		water	water		18.0	273	Chemie (HOH)

Sequence modifications

A, B: 23 - 156 (UniProt: O95696)

PDB	External Database	Details
Met 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
Ser 8	-	expression tag
Ser 9	-	expression tag
Gly 10	-	expression tag
Val 11	-	expression tag
Asp 12	-	expression tag
Leu 13	-	expression tag
Gly 14	-	expression tag
Thr 15	-	expression tag
Glu 16	-	expression tag
Asn 17	-	expression tag
Leu 18	-	expression tag
Tyr 19	-	expression tag
Phe 20	-	expression tag
Gln 21	-	expression tag
Ser 22	-	expression tag
Met 23	Val 555	engineered mutation
Glu 34	Pro 566	engineered mutation
Arg 37	Val 569	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36449.4
Non-Polymers*	Number of molecules	8
	Total formula weight	842.9
All*	Total formula weight	37292.3

*Water molecules are not included.