Calcium in PDB 2j1y: Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D

The structure of Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D, PDB code: 2j1y was solved by A.C.Joerger, A.R.Fersht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.4 / 1.69
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.514, 73.076, 84.760, 90.00, 90.05, 90.00
R / Rfree (%)	18.9 / 21.8

The structure of Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Calcium atom in the Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D (pdb code 2j1y). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D, PDB code: 2j1y:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1291 b:19.7 occ:1.00 OD2 A:ASP268 2.5 11.2 1.0 OD1 A:ASP268 2.5 11.1 1.0 O A:HOH2020 2.5 19.1 1.0 O A:HOH2184 2.6 24.4 1.0 O A:HOH2186 2.6 17.9 1.0 O A:HOH2041 2.7 27.1 1.0 O A:HOH2047 2.8 29.0 1.0 CG A:ASP268 2.8 12.1 1.0 O A:HOH2183 3.1 36.2 1.0 CB A:ASP268 4.4 10.4 1.0 O A:SER269 4.6 13.8 1.0 O A:HOH2061 4.7 36.8 1.0 N A:LEU111 4.7 8.8 1.0 O A:LEU111 4.9 12.7 1.0 ND2 A:ASN131 4.9 9.9 1.0 CB A:ARG110 5.0 11.3 1.0 O A:HOH2044 5.0 30.9 1.0

Calcium binding site 2 out of 4 in the Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1291 b:16.2 occ:1.00 OD2 B:ASP268 2.5 11.5 1.0 O B:HOH2177 2.5 18.1 1.0 O B:HOH2050 2.5 21.2 1.0 O B:HOH2024 2.5 18.9 1.0 O B:HOH2180 2.6 16.4 1.0 OD1 B:ASP268 2.6 15.6 1.0 O B:HOH2049 2.7 24.1 1.0 O B:HOH2178 2.8 22.5 1.0 CG B:ASP268 2.9 14.0 1.0 O B:HOH2008 4.3 27.9 1.0 CB B:ASP268 4.4 12.5 1.0 O B:SER269 4.6 11.0 1.0 O B:HOH2104 4.7 27.6 1.0 N B:LEU111 4.7 13.5 1.0 O B:LEU111 4.8 13.1 1.0 O B:HOH2045 4.8 31.2 1.0 CB B:ARG110 4.8 11.4 1.0 ND2 B:ASN131 4.8 11.8 1.0 O B:HOH2041 4.9 26.3 1.0 O B:HOH2019 5.0 16.5 1.0

Calcium binding site 3 out of 4 in the Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1291 b:18.3 occ:1.00 O C:HOH2042 2.5 19.8 1.0 OD2 C:ASP268 2.5 12.2 1.0 O C:HOH2016 2.5 23.0 1.0 OD1 C:ASP268 2.5 14.8 1.0 O C:HOH2171 2.6 17.5 1.0 O C:HOH2167 2.6 21.4 1.0 CG C:ASP268 2.8 14.5 1.0 O C:HOH2043 2.9 34.9 1.0 O C:HOH2168 3.0 33.9 1.0 CB C:ASP268 4.4 11.2 1.0 O C:SER269 4.6 11.8 1.0 N C:LEU111 4.7 11.6 1.0 O C:HOH2095 4.7 31.5 1.0 O C:HOH2034 4.7 33.5 1.0 O C:LEU111 4.9 12.4 1.0 ND2 C:ASN131 4.9 10.2 1.0 CB C:ARG110 4.9 11.5 1.0 O C:HOH2169 4.9 26.2 1.0

Calcium binding site 4 out of 4 in the Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Human P53 Core Domain Mutant M133L-V203A-N239Y-G245S-N268D within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1291 b:18.4 occ:1.00 O D:HOH2019 2.5 20.9 1.0 O D:HOH2038 2.5 27.5 1.0 OD2 D:ASP268 2.6 16.8 1.0 O D:HOH2162 2.6 19.6 1.0 O D:HOH2158 2.6 26.3 1.0 OD1 D:ASP268 2.7 15.1 1.0 O D:HOH2159 2.7 23.6 1.0 CG D:ASP268 3.0 14.5 1.0 O D:HOH2008 4.3 36.3 1.0 CB D:ASP268 4.5 15.2 1.0 N D:LEU111 4.6 16.7 1.0 O D:SER269 4.6 15.3 1.0 O D:LEU111 4.8 17.9 1.0 O D:HOH2048 4.8 26.5 1.0 O D:HOH2033 4.8 26.6 1.0 CB D:ARG110 4.8 16.4 1.0 ND2 D:ASN131 4.9 12.3 1.0 O D:HOH2016 4.9 19.5 1.0

A.C.Joerger, H.C.Ang, A.R.Fersht. Structural Basis For Understanding Oncogenic P53 Mutations and Designing Rescue Drugs. Proc.Natl.Acad.Sci.Usa V. 103 15056 2006.
ISSN: ISSN 0027-8424
PubMed: 17015838
DOI: 10.1073/PNAS.0607286103