9AQZ

Crystal structure of Bcl-xL in complex with a small molecule inhibitor

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Bcl-2-like protein 1	polymer	167	18689.8	1	UniProt (Q07817) Pfam (PF02180) Pfam (PF00452)	Homo sapiens (human)	Bcl2-L-1,Apoptosis regulator Bcl-X
2	B (A)	(3M)-3-(1-{[(1r,3R,5S,7r)-adamantan-1-yl]methyl}-5-methyl-1H-pyrazol-4-yl)-6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}pyridine-2-carboxylic acid	non-polymer		658.8	1	Chemie (A1AFG)
3	C, D (A)	CADMIUM ION	non-polymer		112.4	2	Chemie (CD)
4	E (A)	water	water		18.0	85	Chemie (HOH)

Sequence modifications

A: 1 - 25 (UniProt: Q07817)

PDB	External Database	Details
Ala 24	Trp 24	engineered mutation

A: 83 - 209 (UniProt: Q07817)

PDB	External Database	Details
Gly 26	-	linker
Gly 77	-	linker
Gly 78	-	linker
Gly 79	-	linker
Gly 80	-	linker
Gly 81	-	linker
Gly 82	-	linker
Lys 158	Glu 158	engineered mutation
Ala 189	Asp 189	engineered mutation
Leu 210	-	expression tag
Glu 211	-	expression tag
His 212	-	expression tag
His 213	-	expression tag
His 214	-	expression tag
His 215	-	expression tag
His 216	-	expression tag
His 217	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	18689.8
Non-Polymers*	Number of molecules	3
	Total formula weight	883.6
All*	Total formula weight	19573.4

*Water molecules are not included.