Bromine in PDB 5aoi: Structure of the P53 Cancer Mutant Y220C in Complex with An Indole- Based Small Molecule

The structure of Structure of the P53 Cancer Mutant Y220C in Complex with An Indole- Based Small Molecule, PDB code: 5aoi was solved by A.C.Joerger, R.Wilcken, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.44 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.821, 71.178, 104.808, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.6

The structure of Structure of the P53 Cancer Mutant Y220C in Complex with An Indole- Based Small Molecule also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Bromine atom in the Structure of the P53 Cancer Mutant Y220C in Complex with An Indole- Based Small Molecule (pdb code 5aoi). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Structure of the P53 Cancer Mutant Y220C in Complex with An Indole- Based Small Molecule, PDB code: 5aoi:

Bromine binding site 1 out of 1 in the Structure of the P53 Cancer Mutant Y220C in Complex with An Indole- Based Small Molecule


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the P53 Cancer Mutant Y220C in Complex with An Indole- Based Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1292 b:57.6 occ:1.00 BR B:RZH1292 0.0 57.6 1.0 C8 B:RZH1292 1.9 46.2 1.0 C6 B:RZH1292 2.9 30.2 1.0 C7 B:RZH1292 2.9 33.3 1.0 CB B:CYS220 3.8 35.0 1.0 CG B:PRO151 3.9 28.6 1.0 SG B:CYS220 4.0 36.5 1.0 C1 B:RZH1292 4.2 39.2 1.0 C5 B:RZH1292 4.2 38.0 1.0 O B:HOH2047 4.3 31.2 1.0 CG1 B:VAL147 4.4 22.3 1.0 CD B:PRO151 4.4 22.3 1.0 CD1 B:LEU257 4.5 24.0 1.0 OG1 B:THR230 4.5 37.1 1.0 CD1 B:LEU145 4.5 28.2 1.0 CG2 B:VAL147 4.6 24.8 1.0 CB B:LEU145 4.7 22.2 1.0 C2 B:RZH1292 4.7 38.1 1.0 O B:GLU221 4.8 29.3 1.0

A.C.Joerger, M.R.Bauer, R.Wilcken, M.G.J.Baud, H.Harbrecht, T.E.Exner, F.M.Boeckler, J.Spencer, A.R.Fersht. Exploiting Transient Protein States For the Design of Small-Molecule Stabilizers of Mutant P53. Structure V. 23 2246 2015.
ISSN: ISSN 0969-2126
PubMed: 26636255
DOI: 10.1016/J.STR.2015.10.016