5PON

PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10980a

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Bromodomain-containing protein 1	polymer	156	18224.7	2	UniProt (O95696) Pfam (PF00439)	Homo sapiens (Human)	BR140-like protein,Bromodomain and PHD finger-containing protein 2
2	C, F (A, B)	1-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-one	non-polymer		205.3	2	Chemie (8RA)
3	D (B)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	E (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	G, H (A, B)	water	water		18.0	270	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	495.6
All*	Total formula weight	36944.9

*Water molecules are not included.