9MZA

Chemically Hijacked BCL6-TCIP3-p300 Complex

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	B-cell lymphoma 6 protein	polymer	128	14626.9	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
2	B, D (B, D)	Histone acetyltransferase p300	polymer	145	17126.5	2	UniProt (Q09472) Pfam (PF00439)	Homo sapiens (human)	p300 HAT,E1A-associated protein p300,Histone butyryltransferase p300,Histone crotonyltransferase p300,Protein 2-hydroxyisobutyryltransferase p300,Protein lactyltransferas p300,Protein propionyltransferase p300
3	E, F (A, C)	1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide	non-polymer		1136.7	2	Chemie (A1BUC)
4	G, H, I, J (A, B, C, D)	water	water		18.0	428	Chemie (HOH)

Sequence modifications

A, C: 5 - 129 (UniProt: P41182)

PDB	External Database	Details
Gly 2	-	expression tag
Pro 3	-	expression tag
Gly 4	-	expression tag
Gln 8	Cys 8	conflict
Arg 67	Cys 67	conflict
Asn 84	Cys 84	conflict

B, D: 1040 - 1161 (UniProt: Q09472)

PDB	External Database	Details
Met 1017	-	initiating methionine
His 1018	-	expression tag
His 1019	-	expression tag
His 1020	-	expression tag
His 1021	-	expression tag
His 1022	-	expression tag
His 1023	-	expression tag
Ser 1024	-	expression tag
Ser 1025	-	expression tag
Gly 1026	-	expression tag
Val 1027	-	expression tag
Asp 1028	-	expression tag
Leu 1029	-	expression tag
Gly 1030	-	expression tag
Thr 1031	-	expression tag
Glu 1032	-	expression tag
Asn 1033	-	expression tag
Leu 1034	-	expression tag
Tyr 1035	-	expression tag
Phe 1036	-	expression tag
Gln 1037	-	expression tag
Ser 1038	-	expression tag
Met 1039	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	63506.7
Non-Polymers*	Number of molecules	2
	Total formula weight	2273.4
All*	Total formula weight	65780.1

*Water molecules are not included.