Arsenic in PDB 8fy0: E3:Protac:Target Ternary Complex Structure (Vcb/753B/Bcl-Xl)

The structure of E3:Protac:Target Ternary Complex Structure (Vcb/753B/Bcl-Xl), PDB code: 8fy0 was solved by S.K.Olsen, D.Nayak, D.Lv, Y.Yuan, P.Zhang, W.Hu, Z.Lv, P.Sung, R.Hromas, G.Zheng, D.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.17 / 2.94
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.62, 118.877, 170.109, 90, 90, 90
R / Rfree (%)	19.5 / 24.1

The structure of E3:Protac:Target Ternary Complex Structure (Vcb/753B/Bcl-Xl) also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Fluorine	(F)	3 atoms

The binding sites of Arsenic atom in the E3:Protac:Target Ternary Complex Structure (Vcb/753B/Bcl-Xl) (pdb code 8fy0). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the E3:Protac:Target Ternary Complex Structure (Vcb/753B/Bcl-Xl), PDB code: 8fy0:

Arsenic binding site 1 out of 1 in the E3:Protac:Target Ternary Complex Structure (Vcb/753B/Bcl-Xl)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of E3:Protac:Target Ternary Complex Structure (Vcb/753B/Bcl-Xl) within 5.0Å range: probe atom residue distance (Å) B Occ A:As301 b:108.7 occ:1.00 AS A:CAD301 0.0 108.7 1.0 O1 A:CAD301 1.8 70.2 1.0 C1 A:CAD301 2.0 70.0 1.0 C2 A:CAD301 2.0 91.9 1.0 SG A:CYS77 2.2 84.6 1.0 CB A:CYS77 3.4 53.4 1.0 CA A:CYS77 3.8 49.6 1.0 N A:ASN78 4.5 49.3 1.0 C A:CYS77 4.5 53.4 1.0 NH1 A:ARG79 4.5 84.3 1.0 CZ A:ARG79 4.5 89.2 1.0 NH2 A:ARG79 4.6 88.8 1.0 O A:THR105 4.6 56.5 1.0 CA A:GLY106 4.6 52.1 1.0 O A:GLY104 4.7 70.6 1.0 CE2 A:PHE148 4.8 63.8 1.0 C A:THR105 4.8 60.0 1.0 N A:GLY106 4.9 62.8 1.0

D.Nayak, D.Lv, Y.Yuan, P.Zhang, W.Hu, A.Nayak, E.A.Ruben, Z.Lv, P.Sung, R.Hromas, G.Zheng, D.Zhou, S.K.Olsen. Development and Crystal Structures of A Potent Second-Generation Dual Degrader of Bcl-2 and Bcl-Xl. Nat Commun V. 15 2743 2024.
ISSN: ESSN 2041-1723
PubMed: 38548768
DOI: 10.1038/S41467-024-46922-4