7M40

Discovery of small molecule antagonists of human Retinoblastoma Binding Protein 4 (RBBP4)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Histone-binding protein RBBP4	polymer	443	49909.9	2	UniProt (Q09028) Pfam (PF12265) Pfam (PF00400) In PDB	Homo sapiens (Human)	Chromatin assembly factor 1 subunit C,CAF-1 subunit C,Chromatin assembly factor I p48 subunit,CAF-I 48 kDa subunit,CAF-I p48,Nucleosome-remodeling factor subunit RBAP48,Retinoblastoma-binding protein 4,RBBP-4,Retinoblastoma-binding protein p48
2	A, B	N~3~-{4-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethoxyquinazolin-2-yl}-N~1~,N~1~-dimethylpropane-1,3-diamine	non-polymer		402.5	2	Chemie (YQJ)
3		water	water		18.0	334	Chemie (HOH)

Sequence modifications

A, B: 1 - 425 (UniProt: Q09028)

PDB	External Database	Details
Met -17	-	initiating methionine
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Arg -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	99819.8
Non-Polymers*	Number of molecules	2
	Total formula weight	805.1
All*	Total formula weight	100624.8

*Water molecules are not included.