6QYL

Structure of MBP-Mcl-1 in complex with compound 8a

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1	polymer	518	57225.9	1	UniProt (P0AEY0) UniProt (Q07820) Pfam (PF01547) Pfam (PF00452) UniProt (by SIFTS) (P0AEX9) In PDB	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	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	1	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)		alpha-maltose
3	A	(2~{R})-2-[[6-ethyl-5-(1~{H}-indol-4-yl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid	non-polymer		442.5	1	Chemie (JLE)
4	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5		water	water		18.0	232	Chemie (HOH)

Sequence modifications

A: -195 - 170 (UniProt: P0AEY0)

PDB	External Database	Details
Met -196	-	initiating methionine
Ala -24	Glu 198	engineered mutation
Ala -23	Asn 199	engineered mutation
Ala 43	Lys 265	engineered mutation
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	57225.9
Branched	Number of molecules	1
	Total formula weight	342.3
Non-Polymers*	Number of molecules	2
	Total formula weight	465.5
All*	Total formula weight	58033.7

*Water molecules are not included.