7L99

Crystal structure of BRDT bromodomain 2 in complex with CDD-1302

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 testis-specific protein	polymer	135	15776.0	4	UniProt (Q58F21) Pfam (PF00439) In PDB	Homo sapiens (Human)	Cancer/testis antigen 9,CT9,RING3-like protein
2	A, B, C, D	N-[3-(acetylamino)-4-methylphenyl]-3-(4-amino-2-methylphenyl)-1-methyl-1H-indazole-5-carboxamide	non-polymer		427.5	6	Chemie (XWJ)
3	D	O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)	non-polymer		597.8	1	Chemie (JEF)
4		water	water		18.0	322	Chemie (HOH)

Sequence modifications

A, B, C, D: 268 - 379 (UniProt: Q58F21)

PDB	External Database	Details
Met 245	-	initiating methionine
Gly 246	-	expression tag
Ser 247	-	expression tag
Ser 248	-	expression tag
His 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag
His 252	-	expression tag
His 253	-	expression tag
His 254	-	expression tag
Ser 255	-	expression tag
Ser 256	-	expression tag
Gly 257	-	expression tag
Leu 258	-	expression tag
Val 259	-	expression tag
Pro 260	-	expression tag
Arg 261	-	expression tag
Gly 262	-	expression tag
Ser 263	-	expression tag
His 264	-	expression tag
Met 265	-	expression tag
Ala 266	-	expression tag
Ser 267	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	63104.2
Non-Polymers*	Number of molecules	7
	Total formula weight	3162.8
All*	Total formula weight	66267.0

*Water molecules are not included.