Calcium in PDB 4ct3: Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K

The structure of Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K, PDB code: 4ct3 was solved by M.Sanz-Gaitero, R.Keary, C.Garcia-Doval, A.Coffey, M.J.Van Raaij, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.50 / 1.69
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	39.020, 61.520, 72.800, 91.80, 98.73, 90.01
R / Rfree (%)	18.074 / 22.407

The structure of Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K also contains other interesting chemical elements:

Mercury	(Hg)	20 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Calcium atom in the Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K (pdb code 4ct3). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K, PDB code: 4ct3:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1170 b:15.8 occ:1.00 OD1 A:ASP45 2.3 11.7 1.0 O A:HIS51 2.3 14.8 1.0 OD2 A:ASP56 2.4 15.5 1.0 OD1 A:ASP47 2.4 20.5 1.0 O A:HOH2083 2.4 17.6 1.0 O A:TYR49 2.4 16.2 1.0 OD1 A:ASP56 2.7 17.4 1.0 CG A:ASP56 2.9 15.5 1.0 CG A:ASP45 3.4 12.2 1.0 CG A:ASP47 3.4 20.8 1.0 C A:HIS51 3.5 14.7 1.0 C A:TYR49 3.6 16.0 1.0 OD2 A:ASP47 3.8 20.2 1.0 OD2 A:ASP45 4.1 12.4 1.0 N A:TYR49 4.2 14.8 1.0 N A:HIS51 4.2 13.5 1.0 CA A:ASP45 4.2 12.3 1.0 OH A:TYR32 4.3 13.2 1.0 C A:TYR50 4.3 14.6 1.0 CB A:ASP45 4.3 12.4 1.0 CB A:ASP56 4.3 14.7 1.0 N A:GLN53 4.3 16.1 1.0 CA A:HIS51 4.4 13.4 1.0 N A:ASP47 4.4 20.1 1.0 N A:ALA52 4.4 14.9 1.0 N A:ALA46 4.5 15.3 1.0 CA A:TYR49 4.5 16.1 1.0 N A:GLY48 4.5 18.1 1.0 CA A:ALA52 4.5 15.7 1.0 O A:HOH2097 4.6 24.9 1.0 N A:TYR50 4.6 15.6 1.0 CG A:GLN53 4.6 19.1 1.0 O A:TYR50 4.6 14.4 1.0 CB A:ASP47 4.7 20.4 1.0 CA A:TYR50 4.7 15.9 1.0 C A:ASP45 4.7 13.3 1.0 CB A:TYR50 4.8 16.9 1.0 CB A:GLN53 4.8 18.4 1.0 CA A:ASP47 4.9 19.3 1.0

Calcium binding site 2 out of 4 in the Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1169 b:17.1 occ:1.00 OD1 B:ASP45 2.3 10.0 1.0 O B:HIS51 2.3 16.4 1.0 OD1 B:ASP47 2.4 22.8 1.0 O B:HOH2088 2.4 13.6 1.0 OD2 B:ASP56 2.4 16.7 1.0 O B:TYR49 2.4 17.1 1.0 OD1 B:ASP56 2.7 18.0 1.0 CG B:ASP56 2.9 16.1 1.0 CG B:ASP45 3.4 11.1 1.0 CG B:ASP47 3.4 22.7 1.0 C B:HIS51 3.6 14.8 1.0 C B:TYR49 3.6 17.0 1.0 OD2 B:ASP47 3.8 21.4 1.0 N B:TYR49 4.1 16.6 1.0 OD2 B:ASP45 4.2 11.3 1.0 N B:HIS51 4.2 15.1 1.0 CA B:ASP45 4.3 11.7 1.0 OH B:TYR32 4.3 12.1 1.0 C B:TYR50 4.3 15.3 1.0 CB B:ASP45 4.3 11.2 1.0 CB B:ASP56 4.3 14.9 1.0 N B:ASP47 4.4 19.5 1.0 N B:GLN53 4.4 16.2 1.0 CA B:HIS51 4.4 14.0 1.0 N B:ALA46 4.5 14.7 1.0 CA B:TYR49 4.5 17.6 1.0 O B:HOH2099 4.5 10.0 0.5 N B:ALA52 4.5 15.3 1.0 N B:GLY48 4.5 19.1 1.0 N B:TYR50 4.6 17.3 1.0 CA B:ALA52 4.6 15.7 1.0 CG B:GLN53 4.6 20.6 1.0 O B:TYR50 4.7 15.1 1.0 CB B:ASP47 4.7 22.0 1.0 C B:ASP45 4.7 12.5 1.0 CA B:TYR50 4.7 16.5 1.0 CB B:TYR50 4.8 17.4 1.0 CB B:GLN53 4.9 19.6 1.0 CA B:ASP47 4.9 20.8 1.0 O B:HOH2089 4.9 23.1 0.5

Calcium binding site 3 out of 4 in the Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1168 b:14.7 occ:1.00 O C:HIS51 2.3 12.8 1.0 OD1 C:ASP45 2.3 16.8 1.0 O C:TYR49 2.3 12.3 1.0 OD1 C:ASP47 2.4 14.4 1.0 O C:HOH2073 2.4 11.1 1.0 OD2 C:ASP56 2.5 14.5 1.0 OD1 C:ASP56 2.7 12.7 1.0 CG C:ASP56 2.9 14.9 1.0 CG C:ASP47 3.4 15.0 1.0 CG C:ASP45 3.4 16.3 1.0 C C:HIS51 3.5 11.9 1.0 C C:TYR49 3.6 13.0 1.0 OD2 C:ASP47 3.8 17.7 1.0 N C:TYR49 4.0 13.3 1.0 OD2 C:ASP45 4.1 16.4 1.0 OH C:TYR32 4.2 13.5 1.0 N C:HIS51 4.2 12.4 1.0 C C:TYR50 4.3 12.1 1.0 CA C:ASP45 4.4 15.3 1.0 CA C:HIS51 4.4 11.8 1.0 CB C:ASP45 4.4 15.8 1.0 CA C:TYR49 4.4 13.0 1.0 N C:GLN53 4.4 12.8 1.0 CB C:ASP56 4.4 14.5 1.0 N C:ALA52 4.4 12.0 1.0 N C:ASP47 4.4 15.2 1.0 N C:ALA46 4.5 15.3 1.0 N C:GLY48 4.5 13.4 1.0 N C:TYR50 4.5 12.4 1.0 CA C:ALA52 4.5 12.3 1.0 CG C:GLN53 4.6 14.6 1.0 O C:HOH2085 4.6 14.9 1.0 O C:TYR50 4.6 11.7 1.0 CB C:TYR50 4.7 13.8 1.0 CA C:TYR50 4.7 12.9 1.0 CB C:ASP47 4.7 14.0 1.0 C C:ASP45 4.8 15.5 1.0 CB C:GLN53 4.8 14.1 1.0 CA C:ASP47 4.9 14.0 1.0

Calcium binding site 4 out of 4 in the Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Methylmercury Chloride Derivative Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1169 b:14.5 occ:1.00 O D:TYR49 2.3 11.5 1.0 O D:HIS51 2.3 12.8 1.0 OD1 D:ASP45 2.3 16.6 1.0 OD1 D:ASP47 2.3 13.3 1.0 O D:HOH2068 2.3 11.8 1.0 OD2 D:ASP56 2.5 15.1 1.0 OD1 D:ASP56 2.8 13.5 1.0 CG D:ASP56 3.0 15.0 1.0 CG D:ASP47 3.4 14.1 1.0 CG D:ASP45 3.4 16.1 1.0 C D:TYR49 3.5 12.5 1.0 C D:HIS51 3.5 12.6 1.0 OD2 D:ASP47 3.8 15.0 1.0 N D:TYR49 4.0 12.5 1.0 OD2 D:ASP45 4.1 17.1 1.0 N D:HIS51 4.1 12.8 1.0 OH D:TYR32 4.2 15.3 1.0 C D:TYR50 4.2 13.2 1.0 CA D:TYR49 4.3 12.4 1.0 CA D:HIS51 4.4 12.6 1.0 CA D:ASP45 4.4 15.7 1.0 N D:ASP47 4.4 15.8 1.0 CB D:ASP45 4.4 16.4 1.0 N D:TYR50 4.4 12.3 1.0 N D:GLN53 4.5 12.5 1.0 N D:ALA52 4.5 12.3 1.0 N D:GLY48 4.5 13.4 1.0 CB D:ASP56 4.5 14.6 1.0 N D:ALA46 4.5 17.3 1.0 CG D:GLN53 4.6 14.9 1.0 O D:TYR50 4.6 13.4 1.0 O D:HOH2081 4.6 16.5 1.0 CA D:ALA52 4.6 12.3 1.0 CA D:TYR50 4.6 13.4 1.0 CB D:TYR50 4.6 13.9 1.0 CB D:ASP47 4.7 13.8 1.0 C D:ASP45 4.8 16.6 1.0 CB D:GLN53 4.9 13.8 1.0 CA D:ASP47 4.9 14.8 1.0 C D:GLY48 5.0 12.0 1.0 CB D:TYR49 5.0 12.3 1.0

M.Sanz-Gaitero, R.Keary, C.Garcia-Doval, A.Coffey, M.J.Van Raaij. Crystal Structure of the Lytic Chapk Domain of the Endolysin Lysk From Staphylococcus Aureus Bacteriophage K. Virol.J. V. 11 133 2014.
ISSN: ISSN 1743-422X
PubMed: 25064136
DOI: 10.1186/1743-422X-11-133