6IWB

Crystal structure of a computationally designed protein (LD3) in complex with BCL-2

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)	Apolipoprotein E	polymer	156	17844.2	2	UniProt (P02649) Pfam (PF01442)	Homo sapiens (Human)	Apo-E
2	B, D (B, D)	Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2	polymer	166	19357.6	2	UniProt (P10415) Pfam (PF02180) Pfam (PF00452)	Homo sapiens (Human)
3	E, F (A)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	G, H, I (A, C, D)	water	water		18.0	9	Chemie (HOH)

Sequence modifications

A, C: 10 - 155 (UniProt: P02649)

PDB	External Database	Details
Met 1	-	initiating methionine
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
Gly 8	-	expression tag
Ser 9	-	expression tag
Leu 21	Trp 52	see sequence details
Glu 22	Asp 53	see sequence details
Ser 25	Arg 56	see sequence details
Ser 28	Gln 59	see sequence details
Arg 99	Cys 130	variant
Ile 129	Arg 160	see sequence details
Ala 130	Lys 161	see sequence details
Gln 132	Arg 163	see sequence details
Leu 133	Lys 164	see sequence details
Ile 136	Leu 167	see sequence details
Gly 137	Arg 168	see sequence details
Phe 140	Asp 171	see sequence details
Ala 154	Arg 185	see sequence details
Gln 156	-	cloning artifact

B, D: 1 - 34 (UniProt: P10415)
B, D: 51 - 166 (UniProt: P10415)

PDB	External Database	Details
Asp 35	-	linker
Val 36	-	linker
Glu 37	-	linker
Glu 38	-	linker
Asn 39	-	linker
Arg 40	-	linker
Thr 41	-	linker
Glu 42	-	linker
Ala 43	-	linker
Pro 44	-	linker
Glu 45	-	linker
Gly 46	-	linker
Thr 47	-	linker
Glu 48	-	linker
Ser 49	-	linker
Glu 50	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	74403.5
Non-Polymers*	Number of molecules	2
	Total formula weight	192.1
All*	Total formula weight	74595.6

*Water molecules are not included.