8ZCS

Crystal structure of the MBP-MCL1 complex with highly selective and potent Cyclic peptide inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1	polymer	522	57644.2	2	UniProt (P0AEX9) UniProt (Q07820) Pfam (PF00452)	Escherichia coli K-12	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	C (C)	TYR-LEU-LEU-PHE-TRP-ARG-ASP-GLU-LEU-ILE-LEU-LEU-CCJ-NH2	polymer	14	1754.1	1		synthetic construct
3	D (D)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		666.6	1	In PDB BIRD (PRD_900010) GlyTouCan (G87171PZ)
4	E (E)	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		828.7	1	In PDB BIRD (PRD_900030) GlyTouCan (G50146AM)
5	F, G, H (A, B, C)	water	water		18.0	161	Chemie (HOH)

Sequence modifications

A, B: -195 - 170 (UniProt: P0AEX9)

PDB	External Database	Details
Gly -196	-	expression tag
Ala -24	Glu 198	conflict
Ala -23	Asn 199	conflict
Ala 43	Lys 265	conflict
Gly 171	-	linker
Ser 172	-	linker

A, B: 173 - 321 (UniProt: Q07820)

PDB	External Database	Details
Ala 194	Lys 194	conflict
Ala 197	Lys 197	conflict
Ala 201	Arg 201	conflict
Ser 322	-	expression tag
Glu 323	-	expression tag
His 324	-	expression tag
His 325	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	117042.5
Branched	Number of molecules	2
	Total formula weight	1495.3
All*	Total formula weight	118537.8

*Water molecules are not included.