6UVG

Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)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, E... (A, B, C, D, E...)	Bcl-2-like protein 1	polymer	158	17918.0	12	UniProt (Q07817) Pfam (PF02180) Pfam (PF00452)	Homo sapiens (Human)	Bcl2-L-1,Apoptosis regulator Bcl-X
2	BA, EA, FA, HA, JA... (H, I, J, K, L...)	(R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid	non-polymer		628.8	12	Chemie (QHP)
3	CA, GA, IA, KA, N... (H, J, K, L, A...)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
4	AA, DA, O, W, Z (G, H, A, E)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
5	LA, MA, NA, OA, PA... (A, B, C, D, E...)	water	water		18.0	160	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 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, E, F, G, H, I, J, K, L: 83 - 209 (UniProt: Q07817)

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	215015.5
Non-Polymers*	Number of molecules	25
	Total formula weight	8624.2
All*	Total formula weight	223639.7

*Water molecules are not included.