7QK0

Crystal structure of human BCL6 BTB domain in complex with compound 12a

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	B-cell lymphoma 6 protein	polymer	144	16499.0	1	UniProt (P41182) Pfam (PF00651)	Homo sapiens (human)	BCL-6,B-cell lymphoma 5 protein,BCL-5,Protein LAZ-3,Zinc finger and BTB domain-containing protein 27,Zinc finger protein 51
2	B (A)	(2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one	non-polymer		547.0	1	Chemie (EBL)
3	C (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	D, E (A)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	F, G (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	2	Chemie (DMS)
6	H (A)	water	water		18.0	103	Chemie (HOH)

Sequence modifications

A: 5 - 129 (UniProt: P41182)

PDB	External Database	Details
Gly -14	-	expression tag
Pro -13	-	expression tag
Gly -12	-	expression tag
Leu -11	-	expression tag
Asp -10	-	expression tag
Tyr -9	-	expression tag
Lys -8	-	expression tag
Asp -7	-	expression tag
Asp -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Lys -3	-	expression tag
Glu -2	-	expression tag
Asn -1	-	expression tag
Leu 0	-	expression tag
Tyr 1	-	expression tag
Phe 2	-	expression tag
Gln 3	-	expression tag
Gly 4	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	16499.0
Non-Polymers*	Number of molecules	6
	Total formula weight	862.9
All*	Total formula weight	17361.8

*Water molecules are not included.