Bromine in PDB 6gga: P53 Cancer Mutant Y220C in Complex with Small-Molecule Stabilizer PK9284

The structure of P53 Cancer Mutant Y220C in Complex with Small-Molecule Stabilizer PK9284, PDB code: 6gga was solved by A.C.Joerger, M.R.Bauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.56 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.001, 71.187, 105.138, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 20

The structure of P53 Cancer Mutant Y220C in Complex with Small-Molecule Stabilizer PK9284 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Bromine atom in the P53 Cancer Mutant Y220C in Complex with Small-Molecule Stabilizer PK9284 (pdb code 6gga). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the P53 Cancer Mutant Y220C in Complex with Small-Molecule Stabilizer PK9284, PDB code: 6gga:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the P53 Cancer Mutant Y220C in Complex with Small-Molecule Stabilizer PK9284


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of P53 Cancer Mutant Y220C in Complex with Small-Molecule Stabilizer PK9284 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:0.9 occ:1.00 BR1 A:EY2401 0.0 0.9 1.0 C03 A:EY2401 1.9 39.1 1.0 C04 A:EY2401 2.8 31.9 1.0 C02 A:EY2401 2.9 33.2 1.0 O A:HOH680 3.6 39.9 1.0 O A:CYS220 3.6 34.8 1.0 CD A:PRO222 3.7 32.9 1.0 N A:PRO222 3.8 29.1 1.0 O A:HOH571 3.9 39.4 1.0 O A:HOH529 4.0 36.9 1.0 C A:GLU221 4.1 29.6 1.0 C05 A:EY2401 4.1 32.4 1.0 C01 A:EY2401 4.2 33.3 1.0 O A:PRO151 4.2 23.2 1.0 CG A:PRO151 4.2 27.0 1.0 C A:CYS220 4.3 33.5 1.0 CD A:PRO151 4.3 23.3 1.0 CA A:PRO222 4.3 27.8 1.0 CB A:PRO222 4.3 34.4 1.0 SG A:CYS220 4.4 33.3 1.0 CG A:PRO222 4.4 35.5 1.0 CA A:GLU221 4.4 32.9 1.0 CG2 A:THR150 4.6 32.1 1.0 O A:GLU221 4.6 28.2 1.0 N A:GLU221 4.6 30.0 1.0 C06 A:EY2401 4.7 32.2 1.0 N A:PRO151 5.0 21.2 1.0

Bromine binding site 2 out of 2 in the P53 Cancer Mutant Y220C in Complex with Small-Molecule Stabilizer PK9284


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of P53 Cancer Mutant Y220C in Complex with Small-Molecule Stabilizer PK9284 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:0.7 occ:1.00 BR1 B:EY2401 0.0 0.7 1.0 C03 B:EY2401 1.9 40.6 1.0 C04 B:EY2401 2.8 30.9 1.0 C02 B:EY2401 2.9 31.0 1.0 O B:CYS220 3.4 33.3 0.8 O B:HOH685 3.4 36.8 1.0 O B:HOH564 3.8 38.1 1.0 O B:CYS220 3.8 31.2 0.2 CD B:PRO222 3.9 32.0 1.0 N B:PRO222 3.9 29.8 1.0 O B:PRO151 4.0 24.4 1.0 C B:GLU221 4.1 27.0 1.0 C B:CYS220 4.1 29.5 0.8 C05 B:EY2401 4.1 33.1 1.0 CG B:PRO151 4.2 24.6 1.0 C01 B:EY2401 4.2 33.7 1.0 SG B:CYS220 4.2 30.2 0.8 C B:CYS220 4.2 29.5 0.2 CD B:PRO151 4.4 22.7 1.0 CA B:GLU221 4.4 31.7 1.0 CA B:PRO222 4.5 28.8 1.0 O B:GLU221 4.6 27.3 1.0 N B:GLU221 4.6 30.1 1.0 CB B:PRO222 4.6 32.5 1.0 CB B:CYS220 4.6 22.4 0.2 C06 B:EY2401 4.7 32.3 1.0 CG B:PRO222 4.8 38.9 1.0 CG2 B:THR150 4.8 31.7 1.0 C B:PRO151 4.8 23.4 1.0 CB B:CYS220 4.9 21.9 0.8 O B:PRO152 4.9 21.8 1.0

M.R.Bauer, R.N.Jones, R.K.Tareque, B.Springett, F.A.Dingler, L.Verduci, K.J.Patel, A.R.Fersht, A.C.Joerger, J.Spencer. A Structure-Guided Molecular Chaperone Approach For Restoring the Transcriptional Activity of the P53 Cancer Mutant Y220C. Future Med Chem V. 11 2491 2019.
ISSN: ISSN 1756-8927
PubMed: 31633398
DOI: 10.4155/FMC-2019-0181