6VWC: Bcl-xL

Crystal structure of Bcl-xL in complex with tetrahydroisoquinoline-pyridine based inhibitors. Determined by X-ray diffraction at 1.6 Å resolution. Released 21 Oct 2020.

Method: X-ray diffraction
Resolution: 1.6 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,610
Mol. weight: 38.55 kDa
Ligands: RQ7
Released: 21 Oct 2020

Explore 6VWC in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6VWC contains 22 α-helices and 0 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: 11 helices, 0 β-strands

Element	Residues	Length
α-helix	3-19	17
α-helix	84-96	13
α-helix	97-101	5
α-helix	102-104	3
α-helix	108-111	4
α-helix	120-130	11
α-helix	137-156	20
α-helix	161-173	13
α-helix	174-178	5
α-helix	179-184	6
α-helix	187-195	9

Chain B: 11 helices, 0 β-strands

Element	Residues	Length
α-helix	3-19	17
α-helix	84-96	13
α-helix	97-101	5
α-helix	102-104	3
α-helix	108-110	3
α-helix	120-130	11
α-helix	137-156	20
α-helix	161-173	13
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

>6VWC_1 Bcl-2-like protein 1 (chains A, B)
MSQSNRELVVDFLSYKLSQKGYSASGGGGGGGMAAVKQALREAGDEFELRYRRAFSDLTS
QLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKKMQVLVSRIAAWM
ATYLNDHLEPWIQENGGWATFVELYGNNAAAESRKGQERLEHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
RQ7	6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[…	C32 H25 N7 O3 S	2

Primary citation

Discovery of A-1331852, a First-in-Class, Potent, and Orally-Bioavailable BCL-X L Inhibitor. Wang, L., Doherty, G.A., Judd, A.S. et al. ACS Med Chem Lett (2020) 11:1829-1836. DOI 10.1021/acsmedchemlett.9b00568 · PubMed

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
7LH7 1.41 Å, Crystal structure of BCL-XL in complex with a benzothiazole-based inhibitor
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
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

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