Magnesium in PDB 7ujx: Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data

All present enzymatic activity of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data:
2.7.11.11;

The structure of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data, PDB code: 7ujx was solved by D.C.Wych, P.C.Aoto, M.E.Wall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.53 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.976, 79.744, 99.058, 90, 90, 90
R / Rfree (%)	12.8 / 17.7

The binding sites of Magnesium atom in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data (pdb code 7ujx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data, PDB code: 7ujx:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg403 b:21.9 occ:1.00 O3 E:PO4402 2.0 26.1 1.0 O E:HOH565 2.1 14.4 1.0 O E:HOH526 2.1 6.6 0.5 OD2 E:ASP184 2.3 10.7 1.0 OD1 E:ASP184 2.4 11.7 1.0 O2B E:ADP401 2.4 14.5 1.0 CG E:ASP184 2.6 10.9 1.0 OD2 E:ASP166 3.0 32.8 0.5 P E:PO4402 3.2 20.8 1.0 O E:HOH876 3.3 83.8 1.0 HA3 E:GLY186 3.4 14.6 1.0 HE2 E:PHE54 3.4 59.5 1.0 PB E:ADP401 3.5 15.6 1.0 O1B E:ADP401 3.5 13.5 1.0 O2 E:PO4402 3.5 13.0 1.0 HD2 E:PHE54 3.6 90.8 1.0 OD2 E:ASP166 3.7 12.2 0.6 MG E:MG404 3.8 11.6 1.0 H E:GLY186 3.8 13.7 1.0 O1 E:PO4402 3.8 23.4 1.0 HZ3 E:LYS72 3.9 17.1 1.0 CE2 E:PHE54 4.1 49.5 1.0 CB E:ASP184 4.1 10.7 1.0 HD21 E:ASN171 4.1 13.7 1.0 CG E:ASP166 4.2 40.5 0.5 CD2 E:PHE54 4.2 75.7 1.0 CA E:GLY186 4.3 12.2 1.0 N E:GLY186 4.4 11.4 1.0 O4 E:PO4402 4.4 19.9 1.0 HB3 E:ASP184 4.4 12.8 1.0 O3B E:ADP401 4.5 16.7 1.0 HB2 E:ASP184 4.6 12.8 1.0 O E:HOH653 4.6 14.5 1.0 HZ1 E:LYS72 4.6 17.1 1.0 O3A E:ADP401 4.6 11.2 1.0 NZ E:LYS72 4.6 14.3 1.0 O1A E:ADP401 4.7 10.6 1.0 OD1 E:ASP166 4.8 8.5 0.5 ND2 E:ASN171 4.8 11.4 1.0 HA E:ASP184 4.8 10.8 1.0 HE2 E:PHE187 4.8 19.4 1.0 CE2 E:PHE187 4.9 16.2 1.0 CG E:ASP166 4.9 13.4 0.6 HZ2 E:LYS72 4.9 17.1 1.0 HA2 E:GLY186 4.9 14.6 1.0 CA E:ASP184 5.0 9.0 1.0 H E:PHE187 5.0 9.9 1.0 PA E:ADP401 5.0 10.3 1.0

Magnesium binding site 2 out of 2 in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 2.4 Angstrom Data within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg404 b:11.6 occ:1.00 O1A E:ADP401 2.0 10.6 1.0 OD2 E:ASP184 2.0 10.7 1.0 O1B E:ADP401 2.0 13.5 1.0 O E:HOH682 2.1 15.5 1.0 O2 E:PO4402 2.1 13.0 1.0 OD1 E:ASN171 2.1 10.3 1.0 CG E:ASP184 3.1 10.9 1.0 HD21 E:ASN171 3.1 13.7 1.0 CG E:ASN171 3.1 13.7 1.0 PB E:ADP401 3.3 15.6 1.0 HB2 E:ASP184 3.3 12.8 1.0 PA E:ADP401 3.3 10.3 1.0 P E:PO4402 3.3 20.8 1.0 H5'2 E:ADP401 3.4 8.1 1.0 ND2 E:ASN171 3.5 11.4 1.0 O E:HOH510 3.5 106.2 1.0 O3 E:PO4402 3.5 26.1 1.0 O3A E:ADP401 3.6 11.2 1.0 CB E:ASP184 3.6 10.7 1.0 O2B E:ADP401 3.8 14.5 1.0 MG E:MG403 3.8 21.9 1.0 HB3 E:ASP184 3.9 12.8 1.0 O E:HOH506 3.9 64.6 0.6 O4 E:PO4402 4.0 19.9 1.0 OD1 E:ASP184 4.1 11.7 1.0 O I:HOH119 4.1 23.6 1.0 HE3 E:LYS168 4.2 12.1 0.5 H3' E:ADP401 4.2 18.7 1.0 HE3 E:LYS168 4.3 12.4 0.6 C5' E:ADP401 4.3 6.8 1.0 O5' E:ADP401 4.3 11.6 1.0 HD22 E:ASN171 4.3 13.7 1.0 HA E:ASN171 4.4 17.8 1.0 O2A E:ADP401 4.4 18.5 1.0 O1 E:PO4402 4.4 23.4 1.0 CB E:ASN171 4.5 10.4 1.0 O3' E:ADP401 4.5 18.9 1.0 HA3 E:GLY52 4.5 83.3 1.0 O3B E:ADP401 4.5 16.7 1.0 OD2 E:ASP166 4.7 32.8 0.5 HE2 E:LYS168 4.7 12.4 0.6 HE2 E:LYS168 4.7 12.1 0.5 HZ1 E:LYS168 4.7 16.2 0.5 HB3 E:ASN171 4.8 12.5 1.0 HZ1 E:LYS168 4.8 16.0 0.6 C3' E:ADP401 4.8 15.6 1.0 OD2 E:ASP166 4.8 12.2 0.6 O E:GLU170 4.9 13.8 1.0 CA E:ASN171 4.9 14.9 1.0 CE E:LYS168 4.9 10.1 0.5 CE E:LYS168 4.9 10.3 0.6 HG23 E:THR183 4.9 12.4 1.0

D.C.Wych, P.C.Aoto, L.T.Vu, A.M.Wolff, D.L.Mobley, J.S.Fraser, S.S.Taylor, M.E.Wall. Molecular Dynamics Simulation Methods For Macromolecular Crystallography To Be Published.