7JGW: BCL-XL

Crystal structure of BCL-XL in complex with COMPOUND 1620116, CRYSTAL FORM 1. Determined by X-ray diffraction at 1.3 Å resolution. Released 24 Feb 2021.

Method: X-ray diffraction
Resolution: 1.3 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,342
Mol. weight: 18.54 kDa
Ligands: V9S
Released: 24 Feb 2021

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

Secondary structure: helices and β-sheets

7JGW contains 11 α-helices and 0 β-strands across 1 chain. 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	1-19	19
α-helix	26-100	19
α-helix	102-104	3
α-helix	108-111	4
α-helix	120-130	11
α-helix	137-156	20
α-helix	160-162	3
α-helix	163-173	11
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	protein	158	Homo sapiens	Q07817 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7JGW_1 Bcl-2-like protein 1 (chains A)
GPLGSMSQSNRELVVDFLSYKLSQKGYSWSQMAAVKQALREAGDEFELRYRRAFSDLTSQ
LHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMA
TYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQER

Ligands and cofactors

ID	Name	Formula	Copies
V9S	6-[(8E)-8-{2-[4-(benzylcarbamoyl)-1,3-thiazol-2-yl]hydrazinylidene}-5,6,7,8-tet…	C35 H31 N5 O4 S	1

Primary citation

Optimization of Benzothiazole and Thiazole Hydrazones as Inhibitors of Schistosome BCL-2. Nguyen, W., Lee, E.F., Evangelista, M. et al. ACS Infect Dis (2021) 7:1143-1163. DOI 10.1021/acsinfecdis.0c00700 · PubMed

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

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
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

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