Calcium 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:

Magnesium

(Mg)

2 atoms

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

Calcium 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 Calcium with other atoms in the Ca 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 B:Ca800 b:24.9 occ:1.00 OE1 B:GLU140 2.2 20.6 1.0 O B:GLN135 2.3 16.1 1.0 OD2 B:ASP129 2.3 14.8 1.0 OD1 B:ASP133 2.4 29.4 1.0 OD1 B:ASP131 2.5 17.2 1.0 O B:HOH803 2.8 24.5 1.0 CD B:GLU140 2.9 21.1 1.0 CG B:ASP131 3.0 17.7 1.0 OD2 B:ASP131 3.0 22.9 1.0 OE2 B:GLU140 3.0 21.4 1.0 CG B:ASP133 3.2 25.0 1.0 CG B:ASP129 3.4 15.8 1.0 C B:GLN135 3.6 15.1 1.0 OD2 B:ASP133 3.6 23.4 1.0 CA B:ASP129 4.1 19.6 1.0 N B:ASP133 4.2 19.0 1.0 OD1 B:ASP129 4.2 16.7 1.0 CB B:ASP129 4.2 17.4 1.0 N B:ASP131 4.2 20.3 1.0 N B:GLN135 4.3 16.1 1.0 CB B:ASP131 4.3 19.8 1.0 CA B:VAL136 4.3 14.8 1.0 CG B:GLU140 4.4 21.3 1.0 CB B:ASP133 4.4 22.3 1.0 N B:VAL136 4.4 14.6 1.0 N B:ASN137 4.4 17.4 1.0 N B:GLY132 4.4 17.6 1.0 C B:ASP129 4.5 17.6 1.0 CA B:GLN135 4.5 16.7 1.0 N B:ILE130 4.6 18.0 1.0 CA B:ASP131 4.7 18.1 1.0 OD1 B:ASN137 4.7 24.2 1.0 CA B:ASP133 4.7 20.6 1.0 CG B:GLN135 4.9 15.9 1.0 C B:ASP131 4.9 17.6 1.0 N B:GLY134 4.9 19.4 1.0 C B:VAL136 4.9 16.3 1.0 C B:ASP133 4.9 19.7 1.0 CG B:ASN137 5.0 21.5 1.0

Calcium 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 Calcium with other atoms in the Ca 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 B:Ca801 b:33.1 occ:1.00 O B:TYR99 2.2 23.5 1.0 OD2 B:ASP93 2.3 16.8 1.0 ND2 B:ASN97 2.4 37.5 1.0 OE1 B:GLU104 2.5 27.3 1.0 OD1 B:ASP95 2.6 36.9 1.0 CG B:ASN97 3.2 38.4 1.0 O B:ASN97 3.3 38.5 1.0 C B:TYR99 3.3 24.2 1.0 OD1 B:ASN97 3.5 40.5 1.0 CG B:ASP93 3.5 19.1 1.0 CD B:GLU104 3.5 25.6 1.0 CG B:ASP95 3.6 34.9 1.0 N B:TYR99 3.8 26.7 1.0 OE2 B:GLU104 3.9 28.8 1.0 OD2 B:ASP95 4.0 34.1 1.0 CA B:TYR99 4.1 26.5 1.0 C B:ASN97 4.2 35.8 1.0 OD1 B:ASP93 4.3 18.0 1.0 N B:ILE100 4.3 23.0 1.0 CB B:TYR99 4.4 27.9 1.0 CB B:ASN97 4.5 36.9 1.0 CA B:ASP93 4.5 21.2 1.0 CA B:ILE100 4.5 21.8 1.0 CB B:ASP93 4.5 20.7 1.0 N B:SER101 4.6 22.8 1.0 CA B:ASN97 4.7 36.5 1.0 N B:ASP95 4.8 30.7 1.0 C B:ASP93 4.8 22.6 1.0 CG B:GLU104 4.8 25.0 1.0 O B:ASP95 4.9 32.2 1.0 CB B:ASP95 4.9 34.0 1.0 N B:ASN97 4.9 36.8 1.0 C B:ILE100 4.9 22.2 1.0 C B:GLY98 5.0 28.3 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