7Q7R

Crystal structure of human BCL6 BTB domain in complex with compound 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	B-cell lymphoma 6 protein	polymer	144	16499.0	1	UniProt (P41182) Pfam (PF00651) In PDB	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	A	2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile	non-polymer		457.9	1	Chemie (9IH)
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4		water	water		18.0	159	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	2
	Total formula weight	493.3
All*	Total formula weight	16992.3

*Water molecules are not included.