8RPO: BFL1

BFL1 in complex with a reversible covalent ligand. Determined by X-ray diffraction at 1.79 Å resolution. Released 3 Jul 2024.

Method: X-ray diffraction
Resolution: 1.79 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,285
Mol. weight: 17.89 kDa
Ligands: A1H2C
Released: 3 Jul 2024

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

Secondary structure: helices and β-sheets

8RPO 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	6-20	15
α-helix	32-51	20
α-helix	53-57	5
α-helix	64-78	15
α-helix	86-106	21
α-helix	114-125	12
α-helix	126-130	5
α-helix	131-136	6
α-helix	139	1
α-helix	140-144	5
α-helix	145-148	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Bcl-2-related protein A1	A	protein	152	Homo sapiens	Q16548 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>8RPO_1 Bcl-2-related protein A1 (chains A)
GMTDCEFGYIYRLAQDYLQCVLQIPQPGSGPSKTSRVLQNVAFSVQKEVEKNLKSCLDNV
NVVSVDTARTLFNQVMEKEFEDGIINWGRIVTIFAFEGILIKKLLRQQIAPDVDTYKEIS
YFVAEFIMNNTGEWIRQNGGWENGFVKKFEPK

Ligands and cofactors

ID	Name	Formula	Copies
A1H2C	(~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phen…	C23 H22 F3 N2 O2 P	1

Primary citation

Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen. Lucas, S.C.C., Blackwell, J.H., Borjesson, U. et al. ACS Med Chem Lett (2024) 15:791-797. DOI 10.1021/acsmedchemlett.4c00113 · PubMed

Other PDB entries of the same protein (UniProt Q16548 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9GIR 1.07 Å, BFL1 covalently bound to inhibitor compound 39
9GIT 1.15 Å, BFL1 covalently bound to inhibitor compound 43
5UUK 1.2 Å, Human Bfl-1 in complex with a Bfl-1-specific selected peptide
5UUL 1.33 Å, Human Bfl-1 in complex with PUMA BH3
9GIS 1.39 Å, BFL1 covalently bound to inhibitor compound 17
9GIQ 1.42 Å, BFL1 covalently bound to inhibitor compound 13
9S6M 1.43 Å, Structure of BFL1 in complex with a covalent inhibitor, alternative series, cmpd25
9GIP 1.46 Å, BFL1 covalently bound to inhibitor compound 7
6E3I 1.48 Å, Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F4
6E3J 1.48 Å, Human Bfl-1 in complex with the Bfl-1-specific designed peptide srt.F10
9EW8 1.49 Å, Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors
9FKY 1.56 Å, Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors

Browse structure collections

About this viewer

MolViewer shows 8RPO directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.