5X9P

Crystal structure of the BCL6 BTB domain in complex with Compound 5

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	141	16287.7	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)	3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid	non-polymer		391.8	1	Chemie (80L)
3	C (A)	water	water		18.0	56	Chemie (HOH)

Sequence modifications

A: 5 - 129 (UniProt: P41182)

PDB	External Database	Details
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	16287.7
Non-Polymers*	Number of molecules	1
	Total formula weight	391.8
All*	Total formula weight	16679.5

*Water molecules are not included.