Zinc in PDB 5lap: P53 Cancer Mutant Y220C with CYS182 Alkylation

The structure of P53 Cancer Mutant Y220C with CYS182 Alkylation, PDB code: 5lap was solved by A.C.Joerger, M.R.Bauer, A.R.Fersht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.91 / 1.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.108, 71.085, 105.252, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 19.3

The structure of P53 Cancer Mutant Y220C with CYS182 Alkylation also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the P53 Cancer Mutant Y220C with CYS182 Alkylation (pdb code 5lap). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the P53 Cancer Mutant Y220C with CYS182 Alkylation, PDB code: 5lap:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the P53 Cancer Mutant Y220C with CYS182 Alkylation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of P53 Cancer Mutant Y220C with CYS182 Alkylation within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:10.2 occ:1.00 ND1 A:HIS179 2.1 10.5 1.0 SG A:CYS176 2.3 9.6 1.0 SG A:CYS242 2.3 12.5 1.0 SG A:CYS238 2.3 14.6 1.0 CE1 A:HIS179 3.0 10.8 1.0 CB A:CYS242 3.0 12.5 1.0 CG A:HIS179 3.1 10.3 1.0 CB A:CYS176 3.3 9.6 1.0 CB A:CYS238 3.4 11.6 1.0 CB A:HIS179 3.4 10.2 1.0 CA A:CYS238 3.8 10.6 1.0 N A:CYS176 4.0 9.1 1.0 NE2 A:HIS179 4.1 10.8 1.0 CD2 A:HIS179 4.2 10.9 1.0 N A:HIS179 4.3 10.0 1.0 N A:TYR239 4.3 10.8 1.0 CA A:CYS176 4.3 9.4 1.0 CA A:HIS179 4.5 10.2 1.0 CA A:CYS242 4.5 12.5 1.0 C A:CYS238 4.6 10.8 1.0 O A:HOH599 4.6 15.1 1.0 O A:MET237 4.8 9.0 1.0 C A:CYS176 5.0 9.4 1.0 O A:TYR239 5.0 10.8 1.0

Zinc binding site 2 out of 2 in the P53 Cancer Mutant Y220C with CYS182 Alkylation


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of P53 Cancer Mutant Y220C with CYS182 Alkylation within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:11.2 occ:1.00 ND1 B:HIS179 2.1 13.1 1.0 SG B:CYS238 2.3 12.9 1.0 SG B:CYS176 2.3 10.3 1.0 SG B:CYS242 2.3 13.4 1.0 CB B:CYS242 3.0 12.9 1.0 CG B:HIS179 3.1 12.3 1.0 CE1 B:HIS179 3.1 13.0 1.0 CB B:CYS176 3.3 10.2 1.0 CB B:HIS179 3.4 12.0 1.0 CB B:CYS238 3.4 11.1 1.0 CA B:CYS238 3.8 10.5 1.0 N B:CYS176 4.0 9.3 1.0 NE2 B:HIS179 4.2 13.3 1.0 CD2 B:HIS179 4.2 13.1 1.0 N B:HIS179 4.3 11.5 1.0 CA B:CYS176 4.3 10.1 1.0 N B:TYR239 4.3 11.4 1.0 CA B:HIS179 4.4 11.4 1.0 CA B:CYS242 4.5 13.3 1.0 C B:CYS238 4.6 10.9 1.0 O B:HOH652 4.6 13.3 1.0 O B:MET237 4.7 9.9 1.0 C B:CYS176 5.0 10.6 1.0

M.R.Bauer, A.C.Joerger, A.R.Fersht. 2-Sulfonylpyrimidines: Mild Alkylating Agents with Anticancer Activity Toward P53-Compromised Cells. Proc.Natl.Acad.Sci.Usa V. 113 E5271 2016.
ISSN: ESSN 1091-6490
PubMed: 27551077
DOI: 10.1073/PNAS.1610421113