6TOM

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	5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one	non-polymer		509.0	1	Chemie (NQZ)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
4		water	water		18.0	95	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	4
	Total formula weight	695.2
All*	Total formula weight	17194.1

*Water molecules are not included.