8EL0

Structure of MBP-Mcl-1 in complex with a macrocyclic compound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1	polymer	532	59136.9	1	UniProt (P0AEX9) UniProt (Q07820) Pfam (PF01547) Pfam (PF00452)	Escherichia coli	MMBP,Maltodextrin-binding protein,Maltose-binding protein,MBP,Bcl-2-like protein 3,Bcl2-L-3,Bcl-2-related protein EAT/mcl1,mcl1/EAT
2	B (B)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	1	In PDB GlyTouCan (G07411ON)
3	C (A)	(7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid	non-polymer		900.5	1	Chemie (WLW)
4	D (A)	water	water		18.0	391	Chemie (HOH)

Sequence modifications

A: -195 - 170 (UniProt: P0AEX9)

PDB	External Database	Details
Met -210	-	initiating methionine
Ala -209	-	expression tag
His -208	-	expression tag
His -207	-	expression tag
His -206	-	expression tag
His -205	-	expression tag
His -204	-	expression tag
His -203	-	expression tag
Glu -202	-	expression tag
Asn -201	-	expression tag
Leu -200	-	expression tag
Tyr -199	-	expression tag
Phe -198	-	expression tag
Gln -197	-	expression tag
Gly -196	-	expression tag
Gly 171	-	linker
Ser 172	-	linker

A: 173 - 321 (UniProt: Q07820)

PDB	External Database	Details
Ala 194	Lys 194	engineered mutation
Ala 197	Lys 197	engineered mutation
Ala 201	Arg 201	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	59136.9
Branched	Number of molecules	1
	Total formula weight	342.3
Non-Polymers*	Number of molecules	1
	Total formula weight	900.5
All*	Total formula weight	60379.6

*Water molecules are not included.