Zinc in PDB 5aok: Structure of the P53 Cancer Mutant Y220C with Bound Small Molecule PHIKAN7099

The structure of Structure of the P53 Cancer Mutant Y220C with Bound Small Molecule PHIKAN7099, PDB code: 5aok was solved by A.C.Joerger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.42 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.013, 70.989, 105.177, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 16.9

The binding sites of Zinc atom in the Structure of the P53 Cancer Mutant Y220C with Bound Small Molecule PHIKAN7099 (pdb code 5aok). 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 with Bound Small Molecule PHIKAN7099, PDB code: 5aok:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the P53 Cancer Mutant Y220C with Bound Small Molecule PHIKAN7099


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 with Bound Small Molecule PHIKAN7099 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1313 b:10.5 occ:1.00 ND1 A:HIS179 2.0 9.4 1.0 SG A:CYS238 2.2 10.3 0.3 SG A:CYS242 2.3 12.2 1.0 SG A:CYS176 2.3 9.6 1.0 SG A:CYS238 2.4 9.2 0.7 CE1 A:HIS179 3.0 10.3 1.0 CG A:HIS179 3.0 10.2 1.0 CB A:CYS242 3.1 12.0 1.0 CB A:CYS238 3.3 10.5 0.7 CB A:CYS176 3.4 9.4 1.0 CB A:HIS179 3.4 9.2 1.0 CB A:CYS238 3.6 11.6 0.3 CA A:CYS238 3.8 10.1 0.3 CA A:CYS238 3.8 9.6 0.7 O A:HOH2175 4.0 22.2 1.0 N A:CYS176 4.0 8.6 1.0 NE2 A:HIS179 4.1 11.2 1.0 CD2 A:HIS179 4.1 10.6 1.0 CA A:CYS176 4.3 9.2 1.0 N A:HIS179 4.3 9.6 1.0 N A:TYR239 4.3 10.5 1.0 CA A:HIS179 4.5 9.1 1.0 CA A:CYS242 4.5 11.6 1.0 C A:CYS238 4.6 10.3 1.0 O A:HOH2166 4.7 12.8 1.0 O A:MET237 4.8 8.8 1.0 C A:CYS176 5.0 9.0 1.0

Zinc binding site 2 out of 2 in the Structure of the P53 Cancer Mutant Y220C with Bound Small Molecule PHIKAN7099


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 with Bound Small Molecule PHIKAN7099 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1300 b:9.6 occ:1.00 ND1 B:HIS179 2.0 8.9 1.0 SG B:CYS242 2.3 9.8 1.0 SG B:CYS238 2.3 9.4 1.0 SG B:CYS176 2.3 9.3 1.0 CE1 B:HIS179 3.0 10.2 1.0 CG B:HIS179 3.1 9.2 1.0 CB B:CYS242 3.1 10.3 1.0 CB B:CYS238 3.3 8.9 1.0 CB B:CYS176 3.4 9.7 1.0 CB B:HIS179 3.4 8.9 1.0 CA B:CYS238 3.8 7.7 1.0 O B:HOH2158 3.9 26.6 1.0 N B:CYS176 4.0 7.8 1.0 NE2 B:HIS179 4.1 11.2 1.0 CD2 B:HIS179 4.2 10.4 1.0 CA B:CYS176 4.3 9.2 1.0 N B:HIS179 4.3 9.4 1.0 N B:TYR239 4.5 8.5 1.0 CA B:CYS242 4.5 10.7 1.0 CA B:HIS179 4.5 8.8 1.0 O B:MET237 4.6 8.6 1.0 O B:HOH2150 4.7 10.7 1.0 C B:CYS238 4.7 7.9 1.0 N B:CYS238 4.9 7.6 1.0 C B:CYS176 5.0 9.3 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