Magnesium in PDB 1zot: Crystal Structure Analysis of the Cyaa/C-Cam with Pmeapp

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

The structure of Crystal Structure Analysis of the Cyaa/C-Cam with Pmeapp, PDB code: 1zot was solved by Q.Guo, W.J.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.52 / 2.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.674, 79.674, 139.339, 90.00, 90.00, 90.00
R / Rfree (%)	25.2 / 29.1

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

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure Analysis of the Cyaa/C-Cam with Pmeapp (pdb code 1zot). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure Analysis of the Cyaa/C-Cam with Pmeapp, PDB code: 1zot:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure Analysis of the Cyaa/C-Cam with Pmeapp


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 the Cyaa/C-Cam with Pmeapp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:19.1 occ:1.00 O1A A:EMA900 1.8 66.3 1.0 OD2 A:ASP188 2.1 25.4 1.0 CE1 A:HIS298 2.2 17.4 1.0 OD1 A:ASP190 2.3 20.2 1.0 OD1 A:ASP188 2.5 30.6 1.0 CG A:ASP188 2.6 26.5 1.0 PA A:EMA900 2.9 67.3 1.0 ND1 A:HIS298 3.0 17.0 1.0 C5' A:EMA900 3.2 66.1 1.0 NE2 A:HIS298 3.2 19.5 1.0 CG A:ASP190 3.4 20.4 1.0 MG A:MG902 3.8 19.7 1.0 O2A A:EMA900 3.8 67.4 1.0 OD2 A:ASP190 3.9 22.0 1.0 CB A:ASP188 4.1 23.8 1.0 CG A:HIS298 4.2 18.4 1.0 O A:LYS58 4.3 20.6 1.0 CD2 A:HIS298 4.3 16.7 1.0 O5' A:EMA900 4.5 64.5 1.0 O3A A:EMA900 4.5 67.7 1.0 CB A:ASP190 4.7 18.2 1.0 CA A:ASP190 4.8 18.4 1.0 CD2 A:LEU60 4.8 27.7 1.0 C A:ASP188 4.9 21.5 1.0 O A:ASP188 4.9 22.9 1.0 CA A:ASP188 4.9 22.8 1.0 N A:ASP190 4.9 17.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure Analysis of the Cyaa/C-Cam with Pmeapp


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 the Cyaa/C-Cam with Pmeapp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:19.7 occ:1.00 OD2 A:ASP188 2.6 25.4 1.0 O A:ILE189 2.8 17.4 1.0 N A:GLN297 3.0 18.8 1.0 O A:HOH967 3.0 26.2 1.0 C A:ILE189 3.4 17.6 1.0 CA A:VAL296 3.5 17.5 1.0 NE2 A:HIS298 3.6 19.5 1.0 CE1 A:HIS298 3.6 17.4 1.0 C A:VAL296 3.7 18.8 1.0 CG A:ASP188 3.7 26.5 1.0 OD1 A:ASP190 3.7 20.2 1.0 CG1 A:VAL296 3.8 10.6 1.0 N A:HIS298 3.8 19.4 1.0 MG A:MG901 3.8 19.1 1.0 CA A:ASP190 3.9 18.4 1.0 ND1 A:HIS298 3.9 17.0 1.0 CD2 A:HIS298 3.9 16.7 1.0 N A:ASP190 3.9 17.8 1.0 O A:VAL295 4.0 19.9 1.0 CA A:GLN297 4.0 18.9 1.0 CG A:HIS298 4.1 18.4 1.0 CB A:VAL296 4.2 17.7 1.0 CB A:ASP188 4.2 23.8 1.0 N A:ILE189 4.2 19.9 1.0 O A:HIS298 4.3 18.9 1.0 C A:GLN297 4.4 19.6 1.0 CB A:GLN297 4.4 20.8 1.0 CA A:ILE189 4.4 17.9 1.0 N A:VAL296 4.6 19.2 1.0 N A:MET191 4.6 16.8 1.0 C A:ASP188 4.7 21.5 1.0 C A:VAL295 4.7 19.1 1.0 CA A:HIS298 4.8 19.0 1.0 OD1 A:ASP188 4.8 30.6 1.0 C A:ASP190 4.8 18.5 1.0 CG A:ASP190 4.8 20.4 1.0 CG2 A:VAL296 4.8 14.6 1.0 O A:VAL296 4.8 19.6 1.0 C A:HIS298 4.9 19.2 1.0 CB A:ASP190 4.9 18.2 1.0 CB A:HIS298 5.0 18.4 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure Analysis of the Cyaa/C-Cam with Pmeapp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure Analysis of the Cyaa/C-Cam with Pmeapp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:48.7 occ:1.00 O2A A:EMA900 2.0 67.4 1.0 C4' A:EMA900 2.2 62.1 1.0 O3A A:EMA900 2.8 67.7 1.0 PA A:EMA900 2.8 67.3 1.0 O5' A:EMA900 2.9 64.5 1.0 C5' A:EMA900 3.0 66.1 1.0 O3B A:EMA900 3.5 66.8 1.0 C1' A:EMA900 3.6 60.4 1.0 PB A:EMA900 3.8 68.2 1.0 O1A A:EMA900 4.4 66.3 1.0 OE2 A:GLU308 4.6 49.9 1.0 O2B A:EMA900 4.7 67.5 1.0 O1B A:EMA900 4.7 67.8 1.0 N9 A:EMA900 4.9 58.0 1.0 PG A:EMA900 4.9 67.2 1.0 O1G A:EMA900 5.0 66.5 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