5N1X

Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand

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	121	13981.3	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, C (B, C)	B-cell lymphoma 6 protein	polymer	121	13981.3	2	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
3	D (D)	B-cell lymphoma 6 protein	polymer	118	13693.9	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
4	E, F, G, H (B, C, D)	~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine	non-polymer		239.3	4	Chemie (8HH)
5	I, J, K, L (A, B, C, D)	water	water		18.0	143	Chemie (HOH)

Sequence modifications

A: 9 - 128 (UniProt: P41182)

PDB	External Database	Details
Gln 8	-	expression tag
Arg 67	Cys 67	conflict
Asn 84	Cys 84	conflict
Ala 121	Cys 121	conflict

B, C: 7 - 127 (UniProt: P41182)

PDB	External Database	Details
Gln 8	Cys 8	conflict
Arg 67	Cys 67	conflict
Asn 84	Cys 84	conflict
Ala 121	Cys 121	conflict

D: 9 - 125 (UniProt: P41182)

PDB	External Database	Details
Gln 8	-	expression tag
Arg 67	Cys 67	conflict
Asn 84	Cys 84	conflict
Ala 121	Cys 121	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	55637.7
Non-Polymers*	Number of molecules	4
	Total formula weight	957.1
All*	Total formula weight	56594.8

*Water molecules are not included.