6O0P: BCL-2 G101A mutation with venetoclax

crystal structure of BCL-2 G101A mutation with venetoclax. Determined by X-ray diffraction at 1.8 Å resolution. Released 22 May 2019.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,313
Mol. weight: 20.56 kDa
Ligands: LBM
Released: 22 May 2019

Explore 6O0P in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6O0P contains 10 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: 10 helices, 0 β-strands

Element	Residues	Length
α-helix	11-25	15
α-helix	31-33	3
α-helix	91-107	17
α-helix	109-118	10
α-helix	126-138	13
α-helix	144-163	20
α-helix	168-179	12
α-helix	180-184	5
α-helix	186-191	6
α-helix	194-202	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2	A	protein	166	Homo sapiens	P10415 (AlphaFold model), Q07817 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6O0P_1 Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2 (chains A)
MAHAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDDVEENRTEAPEGTESEVVHLTLRQAA
DDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVES
VNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMR

Ligands and cofactors

ID	Name	Formula	Copies
LBM	4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]pi…	C45 H50 Cl N7 O7 S	1

Water and common crystallization additives (PEG) are not listed.

Primary citation

Structures of BCL-2 in complex with venetoclax reveal the molecular basis of resistance mutations. Birkinshaw, R.W., Gong, J.N., Luo, C.S. et al. Nat Commun (2019) 10:2385-2385. DOI 10.1038/s41467-019-10363-1 · 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
8HTR 1.6 Å, Crystal structure of Bcl2 in complex with S-9c
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

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