7NB7

Structure of Mcl-1 complex with compound 6b

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Induced myeloid leukemia cell differentiation protein Mcl-1	polymer	170	19493.2	4	UniProt (Q07820) Pfam (PF00452)	Homo sapiens (Human)	Bcl-2-like protein 3,Bcl2-L-3,Bcl-2-related protein EAT/mcl1,mcl1/EAT
2	E, F, G, H (A, B, C, D)	(2~{R})-2-[[7-but-2-ynyl-5-(3-chloranyl-2-methyl-phenyl)-6-ethyl-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid	non-polymer		487.0	4	Chemie (U6N)
3	I, J, K, L (A, B, C, D)	water	water		18.0	6	Chemie (HOH)

Sequence modifications

A, B, C, D: 171 - 327 (UniProt: Q07820)

PDB	External Database	Details
Met 158	-	initiating methionine
His 159	-	expression tag
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
Leu 165	-	expression tag
Val 166	-	expression tag
Pro 167	-	expression tag
Arg 168	-	expression tag
Gly 169	-	expression tag
Ser 170	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	77972.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1948.0
All*	Total formula weight	79920.6

*Water molecules are not included.