8HTR: Bcl2

Crystal structure of Bcl2 in complex with S-9c. Determined by X-ray diffraction at 1.6 Å resolution. Released 15 May 2024.

Method: X-ray diffraction
Resolution: 1.6 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,290
Mol. weight: 20.58 kDa
Ligands: MWH
Released: 15 May 2024

Explore 8HTR in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8HTR contains 9 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: 9 helices, 0 β-strands

Element	Residues	Length
α-helix	7-25	19
α-helix	92-107	16
α-helix	109-119	11
α-helix	126-137	12
α-helix	144-163	20
α-helix	169-180	12
α-helix	181-185	5
α-helix	186-191	6
α-helix	194-202	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Apoptosis regulator Bcl-2	A	protein	171	Homo sapiens	P10415 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8HTR_1 Apoptosis regulator Bcl-2 (chains A)
GPLGSMAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDDVEENRTEAPEGTESEVVHLT
LRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGV
MCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMR

Ligands and cofactors

ID	Name	Formula	Copies
MWH	4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4…	C42 H39 Cl N6 O7 S	1

Primary citation

Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. Guo, Y., Xue, H., Hu, N. et al. J Med Chem (2024) 67:7836-7858. DOI 10.1021/acs.jmedchem.4c00027 · PubMed

Other PDB entries of the same protein (UniProt P10415 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8HTS 1.25 Å, Crystal structure of Bcl2 in complex with S-10r
6GL8 1.4 Å, Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746
6QGG 1.5 Å, Structure of human Bcl-2 in complex with analogue of ABT-737
9IGG 1.5 Å, Structure of human Bcl-xL in complex with small molecule inhibitor
6O0K 1.62 Å, crystal structure of BCL-2 with venetoclax
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…
6O0M 1.75 Å, crystal structure of BCL-2 F104L mutation with venetoclax
5VAU 1.75 Å, Bcl-2 complex with Beclin 1 BH3 domain
8VWX 1.77 Å, Human Bcl-2 (G101V Mutant)/Bcl-xL Chimera Fused to Maltose-Binding Protein
6O0P 1.8 Å, crystal structure of BCL-2 G101A mutation with venetoclax

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