6YBG

Structure of Mcl-1 in complex with compound 2g

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Induced myeloid leukemia cell differentiation protein Mcl-1	polymer	170	19493.2	2	UniProt (Q07820) Pfam (PF00452) In PDB	Homo sapiens (Human)	Bcl-2-like protein 3,Bcl2-L-3,Bcl-2-related protein EAT/mcl1,mcl1/EAT
2	A, B	(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-(2-methoxyphenyl)propanoic acid	non-polymer		707.7	2	Chemie (OJT)
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4		water	water		18.0	65	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	38986.3
Non-Polymers*	Number of molecules	3
	Total formula weight	1450.8
All*	Total formula weight	40437.1

*Water molecules are not included.