Chlorine 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:

Fluorine	(F)	3 atoms
Arsenic	(As)	1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the E3:Protac:Target Ternary Complex Structure (Vcb/753B/Bcl-Xl), PDB code: 8fy0:

Chlorine 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 Chlorine with other atoms in the Cl 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 D:Cl301 b:71.5 occ:1.00 CL01 D:YF8301 0.0 71.5 1.0 C02 D:YF8301 1.8 63.2 1.0 CAC D:YF8301 2.7 66.1 1.0 C03 D:YF8301 2.8 61.0 1.0 CZ D:PHE105 3.3 58.0 1.0 CE2 D:PHE105 3.4 57.5 1.0 CE1 D:PHE105 3.6 63.6 1.0 O D:SER145 3.7 51.9 1.0 CD2 D:PHE105 3.7 54.2 1.0 CA D:PHE146 3.8 45.6 1.0 C D:SER145 3.8 52.4 1.0 N D:PHE146 3.8 48.6 1.0 CD1 D:PHE105 3.9 59.1 1.0 CG D:PHE105 4.0 60.7 1.0 CAB D:YF8301 4.0 61.8 1.0 C04 D:YF8301 4.1 58.0 1.0 CE2 D:PHE97 4.1 52.2 1.0 CB D:SER145 4.2 47.4 1.0 CB D:ALA149 4.3 40.6 1.0 CB D:PHE146 4.4 51.5 1.0 C05 D:YF8301 4.5 54.3 1.0 CA D:SER145 4.7 47.2 1.0 O D:ALA142 4.8 52.8 1.0 CZ D:PHE97 4.8 53.1 1.0 CA D:PHE105 5.0 63.9 1.0 CD2 D:PHE97 5.0 50.3 1.0 CD1 D:PHE146 5.0 52.8 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