6NCN

Fragment-based Discovery of an apoE4 Stabilizer

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Apolipoprotein E	polymer	185	21523.2	1	UniProt (P02649) Pfam (PF01442)	Homo sapiens (Human)	Apo-E
2	B (A)	1-(3-chlorophenyl)cyclobutane-1-carboximidamide	non-polymer		208.7	1	Chemie (KJM)
3	C (A)	water	water		18.0	129	Chemie (HOH)

Sequence modifications

A: 1 - 162 (UniProt: P02649)

PDB	External Database	Details
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
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
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Arg 112	Cys 131	variant
Gln 163	-	expression tag
Ala 164	-	expression tag
Gly 165	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21523.2
Non-Polymers*	Number of molecules	1
	Total formula weight	208.7
All*	Total formula weight	21731.9

*Water molecules are not included.