5PP0

PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11009a

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	B	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
3	B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	B	2-amino-N-methylpyridine-3-carboxamide	non-polymer		151.2	1	Chemie (8UD)
5		water	water		18.0	261	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	4
	Total formula weight	298.3
All*	Total formula weight	36747.7

*Water molecules are not included.