8G3Y

MBP-Mcl1 in complex with ligand 34

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Maltodextrin-binding protein, Induced myeloid leukemia cell differentiation protein Mcl-1 chimera	polymer	518	57310.9	1	UniProt (A0A4P1LXE0) UniProt (Q07820) Pfam (PF00452)	Serratia sp. (strain FS14)	Bcl-2-like protein 3,Bcl2-L-3,Bcl-2-related protein EAT/mcl1,mcl1/EAT
2	B (R)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	1	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)
3	C, D (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	E, G, H (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5	F (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	I (A)	N-[(1'S,3aS,5R,15S,17S,19Z,21S,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide	non-polymer		924.5	1	Chemie (YKL)
7	J (A)	water	water		18.0	435	Chemie (HOH)

Sequence modifications

A: -196 - 170 (UniProt: A0A4P1LXE0)

PDB	External Database	Details
Gly 171	-	linker
Ser 172	-	linker

A: 173 - 321 (UniProt: Q07820)

PDB	External Database	Details
Ala 194	Lys 194	conflict
Ala 197	Lys 197	conflict
Ala 201	Arg 201	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	57310.9
Branched	Number of molecules	1
	Total formula weight	342.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1287.7
All*	Total formula weight	58940.9

*Water molecules are not included.