7LH7: BCL-XL

Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor. Determined by X-ray diffraction at 1.41 Å resolution. Released 23 Jun 2021.

Method: X-ray diffraction
Resolution: 1.41 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,776
Mol. weight: 39.32 kDa
Ligands: XZM
Released: 23 Jun 2021

Explore 7LH7 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7LH7 contains 24 α-helices and 2 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 12 helices, 1 β-strand

Element	Residues	Length	Sheet
α-helix	4-18	15
α-helix	84-96	13
α-helix	97-101	5
α-helix	102-104	3
β-strand	105	1	1
α-helix	108-110	3
α-helix	120-131	12
α-helix	137-156	20
α-helix	162-173	12
α-helix	174-178	5
α-helix	179-184	6
α-helix	187-195	9
α-helix	199-204	6

Chain B: 12 helices, 1 β-strand

Element	Residues	Length	Sheet
α-helix	5-19	15
α-helix	84-96	13
α-helix	97-101	5
α-helix	102-104	3
β-strand	105	1	1
α-helix	108-111	4
α-helix	120-128	9
α-helix	129-131	3
α-helix	137-156	20
α-helix	162-173	12
α-helix	174-178	5
α-helix	179-184	6
α-helix	187-195	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Bcl-2-like protein 1	A, B	protein	167	Homo sapiens	Q07817 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7LH7_1 Bcl-2-like protein 1 (chains A, B)
MSQSNRELVVDFLSYKLSQKGYSASGGGGGGGMAAVKQALREAGDEFELRYRRAFSDLTS
QLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKKMQVLVSRIAAWM
ATYLNDHLEPWIQENGGWATFVELYGNNAAAESRKGQERLEHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
XZM	N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl…	C42 H40 F3 N7 O7 S5	2

Primary citation

Structure-Based Design of A-1293102, a Potent and Selective BCL-XL Inhibitor. Tao, Z.F., Wang, X., Chen, J. et al. Acs Medicinal Chemistry Letters (2021) 12:1011-1016. DOI 10.1021/acsmedchemlett.1c00162

Other PDB entries of the same protein (UniProt Q07817 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7JGW 1.3 Å, Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1
3SP7 1.4 Å, Crystal Structure of Bcl-xL bound to BM903
7YAA 1.4 Å, Crystal structure analysis of cp3 bound BCLxl
9IGG 1.5 Å, Structure of human Bcl-xL in complex with small molecule inhibitor
4QVF 1.53 Å, Crystal structure of Bcl-xL in complex with BIM BH3 domain
4A1U 1.54 Å, Crystal structure of alpha-beta-foldamer 2c in complex with Bcl-xL
6VWC 1.6 Å, Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based…
6O0K 1.62 Å, crystal structure of BCL-2 with venetoclax
3SPF 1.7 Å, Crystal Structure of Bcl-xL bound to BM501
9I9E 1.7 Å, Structure of human Bcl-xL in complex with small molecule inhibitor
9O14 1.73 Å, Crystal Structure of BCL-2 in complex with a stapled BAD BH3 peptide BAD SAHB 4.2
9O16 1.73 Å, Crystal Structure of human BCL-2 (R129L) mutant in complex with a stapled BAD BH3…

Browse structure collections

About this viewer

MolViewer shows 7LH7 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.