Zinc in PDB 6ggf: Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328

The structure of Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328, PDB code: 6ggf 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)	29.61 / 1.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.110, 71.209, 105.351, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.1

The binding sites of Zinc atom in the Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328 (pdb code 6ggf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328, PDB code: 6ggf:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:14.9 occ:1.00 ND1 A:HIS179 2.0 14.9 1.0 SG A:CYS242 2.3 16.6 1.0 SG A:CYS238 2.3 19.2 1.0 SG A:CYS176 2.4 13.8 1.0 CE1 A:HIS179 2.9 15.4 1.0 CG A:HIS179 3.0 15.2 1.0 CB A:CYS242 3.1 15.9 1.0 CB A:CYS176 3.4 14.1 1.0 CB A:CYS238 3.4 16.5 1.0 CB A:HIS179 3.4 14.2 1.0 CA A:CYS238 3.8 12.9 1.0 N A:CYS176 4.0 13.1 1.0 NE2 A:HIS179 4.1 17.0 1.0 CD2 A:HIS179 4.1 16.3 1.0 CA A:CYS176 4.3 13.3 1.0 N A:HIS179 4.3 13.9 1.0 N A:TYR239 4.3 14.9 1.0 CA A:HIS179 4.5 14.0 1.0 CA A:CYS242 4.5 16.0 1.0 C A:CYS238 4.6 13.7 1.0 O A:HOH611 4.7 18.3 1.0 O A:MET237 4.8 12.7 1.0 C A:CYS176 5.0 13.9 1.0

Zinc binding site 2 out of 2 in the Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:14.6 occ:1.00 ND1 B:HIS179 2.0 15.0 1.0 SG B:CYS242 2.3 15.7 1.0 SG B:CYS238 2.3 15.3 1.0 SG B:CYS176 2.3 14.3 1.0 CE1 B:HIS179 3.0 16.2 1.0 CG B:HIS179 3.1 14.4 1.0 CB B:CYS242 3.1 15.8 1.0 CB B:CYS238 3.3 13.3 1.0 CB B:CYS176 3.4 13.9 1.0 CB B:HIS179 3.4 14.6 1.0 CA B:CYS238 3.8 12.7 1.0 N B:CYS176 4.0 12.9 1.0 NE2 B:HIS179 4.1 16.9 1.0 CD2 B:HIS179 4.2 16.2 1.0 CA B:CYS176 4.3 13.6 1.0 N B:HIS179 4.4 15.1 1.0 N B:TYR239 4.4 14.2 1.0 CA B:CYS242 4.5 15.1 1.0 CA B:HIS179 4.5 14.3 1.0 O B:HOH623 4.7 15.9 1.0 O B:MET237 4.7 13.8 1.0 C B:CYS238 4.7 13.9 1.0 N B:CYS238 5.0 12.4 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