6QGK: Human Bcl-2

Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound. Determined by X-ray diffraction at 1.8 Å resolution. Released 12 Jun 2019.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,365
Mol. weight: 20.89 kDa
Ligands: J1Q
Released: 12 Jun 2019

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

Secondary structure: helices and β-sheets

6QGK contains 8 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: 8 helices, 0 β-strands

Element	Residues	Length
α-helix	11-24	14
α-helix	49-119	29
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	194-210	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1	A	protein	177	Homo sapiens	P10415 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>6QGK_1 Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 (chains A)
MSQDNREIVMKYISYKLSQRGYEWDAGDVEENRTEAPEGTESEVVHQTLRQAGDDFSLRY
RRDFAQMSSQLHLTPGTAYASFATVVAELFRDGVNWGRIVAFFEFGGVMCVESVNRAMSV
LVDNIAAWMATYLNDHLHTWIQDNGGWDAFVELYGNNAAAESRKGQERFLEHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
J1Q	1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phen…	C30 H39 N5 O2	1

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

Primary citation

Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Murray, J.B., Davidson, J., Chen, I. et al. ACS Omega (2019) 4:8892-8906. DOI 10.1021/acsomega.9b00611 · 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

Browse structure collections

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