Arsenic in PDB 7dhz: Arsenic-Bound P53 Dna-Binding Domain Mutant R249S

The structure of Arsenic-Bound P53 Dna-Binding Domain Mutant R249S, PDB code: 7dhz was solved by S.Chen, M.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.52 / 1.74
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.551, 68.768, 66.784, 90, 93.22, 90
R / Rfree (%)	19.7 / 25.7

The structure of Arsenic-Bound P53 Dna-Binding Domain Mutant R249S also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Arsenic atom in the Arsenic-Bound P53 Dna-Binding Domain Mutant R249S (pdb code 7dhz). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Arsenic-Bound P53 Dna-Binding Domain Mutant R249S, PDB code: 7dhz:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Arsenic-Bound P53 Dna-Binding Domain Mutant R249S


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Arsenic-Bound P53 Dna-Binding Domain Mutant R249S within 5.0Å range: probe atom residue distance (Å) B Occ A:As302 b:32.2 occ:1.00 SG A:CYS135 2.2 23.8 0.5 SG A:CYS124 2.2 18.5 1.0 SG A:CYS135 2.2 19.2 0.5 SG A:CYS141 2.3 19.6 1.0 CB A:CYS135 3.1 18.7 0.5 CB A:CYS135 3.1 16.8 0.5 CB A:CYS124 3.2 15.7 1.0 CB A:CYS141 3.2 17.3 1.0 CG A:MET133 3.4 18.1 1.0 CA A:CYS135 3.7 14.5 0.5 CA A:CYS141 3.7 14.8 1.0 CA A:CYS135 3.7 15.5 0.5 CA A:CYS124 3.8 13.4 1.0 SD A:MET133 3.9 21.6 1.0 O A:PHE134 4.0 12.0 1.0 N A:CYS135 4.3 12.8 0.5 N A:CYS135 4.3 13.1 0.5 C A:PHE134 4.3 11.9 1.0 CE A:MET133 4.4 20.8 1.0 O A:THR140 4.5 14.2 1.0 C A:CYS124 4.5 12.3 1.0 N A:THR125 4.5 11.3 1.0 N A:CYS141 4.7 14.8 1.0 O A:THR123 4.7 13.9 1.0 C A:CYS141 4.8 14.0 1.0 CB A:MET133 4.8 14.3 1.0 N A:PHE134 5.0 10.5 1.0 C A:THR140 5.0 14.5 1.0 N A:CYS124 5.0 13.2 1.0

Arsenic binding site 2 out of 2 in the Arsenic-Bound P53 Dna-Binding Domain Mutant R249S


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Arsenic-Bound P53 Dna-Binding Domain Mutant R249S within 5.0Å range: probe atom residue distance (Å) B Occ B:As303 b:44.9 occ:1.00 SG B:CYS135 2.2 32.4 0.5 SG B:CYS135 2.2 30.1 0.5 SG B:CYS124 2.2 30.0 1.0 SG B:CYS141 2.3 34.1 1.0 CB B:CYS135 3.0 28.4 0.5 CB B:CYS135 3.2 27.3 0.5 CB B:CYS141 3.3 29.6 1.0 CB B:CYS124 3.3 25.4 1.0 CG B:MET133 3.4 25.7 1.0 CA B:CYS135 3.7 24.8 0.5 CA B:CYS135 3.7 24.3 0.5 CA B:CYS141 3.7 25.1 1.0 SD B:MET133 3.8 31.0 1.0 CA B:CYS124 3.8 21.9 1.0 O B:PHE134 3.9 18.9 1.0 N B:CYS135 4.2 21.9 0.5 CE B:MET133 4.2 32.5 1.0 N B:CYS135 4.2 21.8 0.5 C B:PHE134 4.2 20.5 1.0 O B:THR140 4.5 22.8 1.0 N B:THR125 4.5 19.2 1.0 C B:CYS124 4.6 21.6 1.0 C B:CYS141 4.7 22.6 1.0 N B:CYS141 4.7 23.6 1.0 CB B:MET133 4.8 21.1 1.0 O B:THR123 4.8 20.4 1.0 N B:PHE134 5.0 17.3 1.0

S.Chen, J.L.Wu, Y.Liang, Y.G.Tang, H.X.Song, L.L.Wu, Y.F.Xing, N.Yan, Y.T.Li, Z.Y.Wang, S.J.Xiao, X.Lu, S.J.Chen, M.Lu. Arsenic Trioxide Rescues Structural P53 Mutations Through A Cryptic Allosteric Site. Cancer Cell V. 39 225 2021.
ISSN: ISSN 1535-6108
PubMed: 33357454
DOI: 10.1016/J.CCELL.2020.11.013