6UVH

Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Bcl-2-like protein 1	polymer	158	17918.0	4	UniProt (Q07817) Pfam (PF02180) Pfam (PF00452)	Homo sapiens (Human)	Bcl2-L-1,Apoptosis regulator Bcl-X
2	E (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
3	F, J (A, D)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	G, H, I, K (A, B, C, D)	(R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid	non-polymer		756.3	4	Chemie (QHJ)
5	L, M, N, O (A, B, C, D)	water	water		18.0	96	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 26 (UniProt: Q07817)

PDB	External Database	Details
Gly -5	-	expression tag
Pro -4	-	expression tag
Leu -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag

A, B, C, D: 83 - 209 (UniProt: Q07817)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	71671.8
Non-Polymers*	Number of molecules	7
	Total formula weight	3279.6
All*	Total formula weight	74951.4

*Water molecules are not included.