Magnesium in PDB 2col: Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate

All present enzymatic activity of Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate:
4.6.1.1;

The structure of Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate, PDB code: 2col was solved by Q.Guo, W.J.Tang, Y.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.613, 79.613, 139.465, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 29.3

The structure of Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate (pdb code 2col). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate, PDB code: 2col:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg907 b:22.0 occ:1.00 CE1 A:HIS298 2.1 13.2 1.0 OD1 A:ASP190 2.3 26.5 1.0 OD2 A:ASP188 2.4 31.4 1.0 O A:HOH964 2.4 28.0 1.0 OD1 A:ASP188 2.8 34.2 1.0 CG A:ASP188 2.9 28.7 1.0 ND1 A:HIS298 3.0 14.9 1.0 NE2 A:HIS298 3.1 16.9 1.0 CG A:ASP190 3.3 25.0 1.0 OD2 A:ASP190 3.6 25.8 1.0 CG A:HIS298 4.2 15.3 1.0 CD2 A:HIS298 4.3 13.8 1.0 O1 A:POP893 4.3 72.4 1.0 O A:LYS58 4.4 21.9 1.0 MG A:MG908 4.4 23.8 1.0 CB A:ASP188 4.4 26.5 1.0 CB A:ASP190 4.5 23.1 1.0 CD2 A:LEU60 4.6 27.0 1.0 O A:ASP188 4.9 26.3 1.0 CA A:ASP190 4.9 21.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure Analysis of Cyaa/C-Cam with Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg908 b:23.8 occ:1.00 N A:GLN297 2.7 15.3 1.0 OD2 A:ASP188 2.9 31.4 1.0 CA A:VAL296 3.1 16.1 1.0 O A:ILE189 3.1 18.5 1.0 C A:VAL296 3.3 15.7 1.0 O A:HOH952 3.5 21.3 1.0 CE1 A:HIS298 3.5 13.2 1.0 N A:HIS298 3.6 15.8 1.0 ND1 A:HIS298 3.6 14.9 1.0 CG1 A:VAL296 3.6 14.4 1.0 C A:ILE189 3.7 19.9 1.0 CA A:GLN297 3.8 16.7 1.0 O A:VAL295 3.8 16.6 1.0 CG A:ASP188 3.9 28.7 1.0 CB A:VAL296 3.9 17.0 1.0 OD1 A:ASP190 4.0 26.5 1.0 NE2 A:HIS298 4.1 16.9 1.0 CA A:ASP190 4.1 21.4 1.0 C A:GLN297 4.1 17.1 1.0 CG A:HIS298 4.2 15.3 1.0 N A:VAL296 4.2 16.8 1.0 CB A:ASP188 4.2 26.5 1.0 N A:ASP190 4.2 20.6 1.0 CB A:GLN297 4.3 18.6 1.0 O A:HIS298 4.3 15.7 1.0 MG A:MG907 4.4 22.0 1.0 C A:VAL295 4.4 16.3 1.0 N A:ILE189 4.4 21.8 1.0 CD2 A:HIS298 4.4 13.8 1.0 O A:VAL296 4.4 15.7 1.0 CG2 A:VAL296 4.5 18.6 1.0 CA A:HIS298 4.6 16.7 1.0 C A:ASP188 4.7 23.7 1.0 CA A:ILE189 4.7 19.9 1.0 N A:MET191 4.7 18.8 1.0 C A:HIS298 4.8 16.4 1.0 OD1 A:ASP188 4.9 34.2 1.0 CB A:HIS298 5.0 14.7 1.0 C A:ASP190 5.0 20.4 1.0 CG A:ASP190 5.0 25.0 1.0 CG A:GLN297 5.0 21.7 1.0

Q.Guo, Y.Shen, Y.S.Lee, C.S.Gibbs, M.Mrksich, W.J.Tang. Structural Basis For the Interaction of Bordetella Pertussis Adenylyl Cyclase Toxin with Calmodulin Embo J. V. 24 3190 2005.
ISSN: ISSN 0261-4189
PubMed: 16138079
DOI: 10.1038/SJ.EMBOJ.7600800