Calcium 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:

Magnesium

(Mg)

3 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure Analysis of the Cyaa/C-Cam with Pmeapp, PDB code: 1zot:
Jump to Calcium binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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 B:Ca800 b:25.0 occ:1.00 OD1 B:ASP133 2.2 25.1 1.0 O B:GLN135 2.2 19.4 1.0 OD2 B:ASP129 2.3 13.7 1.0 OE1 B:GLU140 2.4 25.4 1.0 OD1 B:ASP131 2.6 22.7 1.0 OE2 B:GLU140 2.7 21.2 1.0 O B:HOH188 2.7 17.2 1.0 CD B:GLU140 2.9 21.6 1.0 OD2 B:ASP131 3.0 26.2 1.0 CG B:ASP133 3.1 23.3 1.0 CG B:ASP131 3.1 22.3 1.0 CG B:ASP129 3.4 14.3 1.0 C B:GLN135 3.4 19.7 1.0 OD2 B:ASP133 3.4 24.2 1.0 N B:ASP133 4.1 15.9 1.0 OD1 B:ASP129 4.1 13.4 1.0 CA B:VAL136 4.3 19.0 1.0 N B:VAL136 4.3 18.8 1.0 N B:GLN135 4.3 18.2 1.0 CA B:ASP129 4.3 19.3 1.0 N B:ASN137 4.3 21.1 1.0 CB B:ASP133 4.3 20.7 1.0 CB B:ASP129 4.3 17.0 1.0 CA B:GLN135 4.4 19.9 1.0 CG B:GLU140 4.4 22.2 1.0 CB B:ASP131 4.5 22.0 1.0 N B:ASP131 4.5 20.9 1.0 N B:GLY132 4.6 16.8 1.0 CG B:GLN135 4.6 21.0 1.0 C B:ASP129 4.6 19.0 1.0 CA B:ASP133 4.6 17.9 1.0 C B:VAL136 4.8 20.4 1.0 N B:ILE130 4.8 19.0 1.0 CA B:ASP131 4.9 19.8 1.0 N B:GLY134 4.9 18.0 1.0 C B:ASP133 5.0 18.6 1.0 CG B:ASN137 5.0 23.5 1.0 C B:ASP131 5.0 18.0 1.0

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


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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 B:Ca801 b:34.2 occ:1.00 OD2 B:ASP93 2.1 16.7 1.0 OD1 B:ASN97 2.3 34.1 1.0 O B:TYR99 2.4 22.6 1.0 OE2 B:GLU104 2.6 25.1 1.0 OE1 B:GLU104 2.6 22.5 1.0 OD1 B:ASP95 2.7 39.0 1.0 CD B:GLU104 2.9 21.7 1.0 CG B:ASN97 3.2 35.8 1.0 CG B:ASP93 3.2 18.9 1.0 O B:ASN97 3.3 35.2 1.0 CG B:ASP95 3.4 36.8 1.0 C B:TYR99 3.6 23.3 1.0 ND2 B:ASN97 3.7 35.7 1.0 CB B:ASP95 4.0 35.4 1.0 OD1 B:ASP93 4.1 16.3 1.0 CA B:ASP93 4.1 21.8 1.0 CB B:ASP93 4.1 20.4 1.0 N B:TYR99 4.2 25.2 1.0 OD2 B:ASP95 4.2 37.7 1.0 N B:ASP95 4.2 30.9 1.0 C B:ASN97 4.2 33.1 1.0 C B:ASP93 4.3 23.4 1.0 O B:ASP95 4.3 32.1 1.0 CG B:GLU104 4.4 20.1 1.0 C B:ASP95 4.4 32.5 1.0 CA B:ASP95 4.4 32.5 1.0 CA B:TYR99 4.5 25.5 1.0 CB B:ASN97 4.5 34.8 1.0 N B:ILE100 4.5 21.4 1.0 CA B:ILE100 4.6 20.5 1.0 N B:ASN97 4.6 35.9 1.0 CA B:ASN97 4.6 34.3 1.0 O B:ASP93 4.7 23.2 1.0 N B:LYS94 4.7 26.4 1.0 N B:SER101 4.9 21.6 1.0 CB B:TYR99 5.0 27.3 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