Magnesium in PDB 7v0g: Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 1.63 Angstrom Data

All present enzymatic activity of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 1.63 Angstrom Data:
2.7.11.11;

The structure of Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 1.63 Angstrom Data, PDB code: 7v0g 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)	42.07 / 1.63
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 (%)	11.6 / 16.3

The binding sites of Magnesium atom in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 1.63 Angstrom Data (pdb code 7v0g). 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 1.63 Angstrom Data, PDB code: 7v0g:
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 1.63 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 1.63 Angstrom Data within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg403 b:21.6 occ:1.00 O E:HOH589 2.0 23.7 1.0 O E:HOH585 2.1 16.6 0.7 O3 E:PO4402 2.1 22.4 1.0 OD2 E:ASP184 2.1 14.2 1.0 O2B E:ADP401 2.2 22.9 1.0 OD1 E:ASP184 2.3 15.4 1.0 CG E:ASP184 2.5 14.3 1.0 O E:HOH880 3.0 96.3 1.0 PB E:ADP401 3.3 18.8 1.0 HD2 E:PHE54 3.3 45.2 1.0 O1B E:ADP401 3.3 19.0 1.0 P E:PO4402 3.3 17.4 1.0 OD2 E:ASP166 3.3 11.9 0.2 O2 E:PO4402 3.5 16.3 1.0 HA3 E:GLY186 3.5 18.8 1.0 MG E:MG404 3.6 15.8 1.0 HZ3 E:LYS72 3.6 19.5 1.0 HE2 E:PHE54 3.7 43.9 1.0 H E:GLY186 3.9 16.5 1.0 OD2 E:ASP166 4.0 17.9 0.8 CB E:ASP184 4.0 14.0 1.0 CD2 E:PHE54 4.0 37.7 1.0 O1 E:PO4402 4.1 21.1 1.0 HD21 E:ASN171 4.2 16.8 1.0 CE2 E:PHE54 4.2 36.6 1.0 HZ1 E:LYS72 4.2 19.5 1.0 CG E:ASP166 4.3 13.4 0.2 O3A E:ADP401 4.3 17.5 1.0 NZ E:LYS72 4.3 16.3 1.0 O3B E:ADP401 4.4 17.7 1.0 HB3 E:ASP184 4.4 16.8 1.0 HB2 E:ASP184 4.4 16.8 1.0 CA E:GLY186 4.4 15.7 1.0 O1A E:ADP401 4.4 16.6 1.0 O E:HOH612 4.4 24.2 1.0 O4 E:PO4402 4.5 20.7 1.0 N E:GLY186 4.5 13.7 1.0 OD1 E:ASP166 4.5 13.3 0.2 HZ2 E:LYS72 4.7 19.5 1.0 HA E:ASP184 4.7 16.0 1.0 PA E:ADP401 4.8 17.4 1.0 ND2 E:ASN171 4.8 14.0 1.0 CA E:ASP184 4.9 13.4 1.0 O E:HOH512 4.9 85.6 0.9 HB2 E:PHE54 4.9 43.2 1.0

Magnesium binding site 2 out of 2 in the Structure of Camp-Dependent Protein Kinase Using A Md-Mx Procedure, Produced Using 1.63 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 1.63 Angstrom Data within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg404 b:15.8 occ:1.00 O1A E:ADP401 2.0 16.6 1.0 O2 E:PO4402 2.0 16.3 1.0 OD2 E:ASP184 2.1 14.2 1.0 O1B E:ADP401 2.1 19.0 1.0 O E:HOH697 2.1 20.1 1.0 OD1 E:ASN171 2.1 14.9 1.0 HD21 E:ASN171 3.1 16.8 1.0 CG E:ASP184 3.1 14.3 1.0 CG E:ASN171 3.1 14.3 1.0 HB2 E:ASP184 3.2 16.8 1.0 PB E:ADP401 3.3 18.8 1.0 P E:PO4402 3.3 17.4 1.0 PA E:ADP401 3.3 17.4 1.0 O E:HOH691 3.4 47.0 0.6 ND2 E:ASN171 3.5 14.0 1.0 H5'2 E:ADP401 3.5 18.3 1.0 O3 E:PO4402 3.5 22.4 1.0 O3A E:ADP401 3.6 17.5 1.0 MG E:MG403 3.6 21.6 1.0 CB E:ASP184 3.6 14.0 1.0 O2B E:ADP401 3.8 22.9 1.0 HB3 E:ASP184 3.9 16.8 1.0 O E:HOH510 4.0 91.5 1.0 O4 E:PO4402 4.1 20.7 1.0 OD1 E:ASP184 4.1 15.4 1.0 HE3 E:LYS168 4.2 20.4 0.2 O I:HOH118 4.2 31.3 1.0 HE3 E:LYS168 4.3 20.3 0.8 HD22 E:ASN171 4.3 16.8 1.0 O2A E:ADP401 4.3 18.6 1.0 H3' E:ADP401 4.3 19.4 1.0 O5' E:ADP401 4.3 16.1 1.0 HA3 E:GLY52 4.4 57.0 1.0 C5' E:ADP401 4.4 15.3 1.0 HA E:ASN171 4.4 16.7 1.0 O3' E:ADP401 4.4 17.3 1.0 O1 E:PO4402 4.5 21.1 1.0 CB E:ASN171 4.5 14.0 1.0 O3B E:ADP401 4.5 17.7 1.0 HE2 E:LYS168 4.7 20.4 0.2 HE2 E:LYS168 4.7 20.3 0.8 HZ1 E:LYS168 4.8 20.4 0.2 O E:HOH585 4.8 16.6 0.7 HZ1 E:LYS168 4.8 20.4 0.8 HB3 E:ASN171 4.8 16.7 1.0 CE E:LYS168 4.8 17.0 0.2 C3' E:ADP401 4.9 16.2 1.0 OD2 E:ASP166 4.9 17.9 0.8 HG23 E:THR183 4.9 18.3 1.0 CE E:LYS168 4.9 16.9 0.8 CA E:ASN171 4.9 13.9 1.0 O E:GLU170 5.0 17.2 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.