Magnesium in PDB 3x2w: Michaelis Complex of Camp-Dependent Protein Kinase Catalytic Subunit

All present enzymatic activity of Michaelis Complex of Camp-Dependent Protein Kinase Catalytic Subunit:
2.7.11.11;

The structure of Michaelis Complex of Camp-Dependent Protein Kinase Catalytic Subunit, PDB code: 3x2w was solved by A.Das, P.Langan, O.Gerlits, A.Y.Kovalevsky, W.T.Heller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.50 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.200, 78.660, 97.720, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 19.8

The binding sites of Magnesium atom in the Michaelis Complex of Camp-Dependent Protein Kinase Catalytic Subunit (pdb code 3x2w). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Michaelis Complex of Camp-Dependent Protein Kinase Catalytic Subunit, PDB code: 3x2w:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Michaelis Complex of Camp-Dependent Protein Kinase Catalytic Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Michaelis Complex of Camp-Dependent Protein Kinase Catalytic Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:17.0 occ:1.00 O3G A:ATP403 1.9 24.5 1.0 O1B A:ATP403 2.0 25.5 1.0 O A:HOH556 2.0 24.4 1.0 O A:HOH513 2.1 22.7 1.0 OD2 A:ASP184 2.2 16.6 1.0 OD1 A:ASP184 2.2 17.2 1.0 CG A:ASP184 2.5 16.5 1.0 PG A:ATP403 3.0 25.1 1.0 PB A:ATP403 3.2 23.1 1.0 O3B A:ATP403 3.4 28.7 1.0 O2G A:ATP403 3.6 22.5 1.0 MG A:MG402 3.8 14.9 1.0 O A:HOH674 4.0 28.8 0.9 CB A:ASP184 4.0 12.8 1.0 OD2 A:ASP166 4.1 18.4 1.0 OG S:SER621 4.2 17.2 0.6 O A:HOH677 4.2 43.7 1.0 OG S:SER621 4.3 28.8 0.4 O2B A:ATP403 4.3 23.2 1.0 O3A A:ATP403 4.4 18.0 1.0 O1G A:ATP403 4.4 26.6 1.0 NZ A:LYS72 4.4 20.4 1.0 O2A A:ATP403 4.4 17.8 1.0 CA A:GLY186 4.5 16.7 1.0 N A:GLY186 4.6 15.9 1.0 PA A:ATP403 4.7 18.3 1.0 CB S:SER621 4.7 19.2 0.6 CB S:SER621 4.7 21.0 0.4 O1A A:ATP403 4.8 20.2 1.0 O A:HOH917 4.8 62.9 1.0 CA A:ASP184 4.8 14.3 1.0

Magnesium binding site 2 out of 2 in the Michaelis Complex of Camp-Dependent Protein Kinase Catalytic Subunit


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Michaelis Complex of Camp-Dependent Protein Kinase Catalytic Subunit within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:14.9 occ:1.00 O2G A:ATP403 1.9 22.5 1.0 O2A A:ATP403 2.0 17.8 1.0 OD2 A:ASP184 2.1 16.6 1.0 O A:HOH509 2.1 19.7 1.0 OD1 A:ASN171 2.2 17.4 1.0 O3B A:ATP403 2.7 28.7 1.0 PG A:ATP403 2.8 25.1 1.0 CG A:ASP184 3.1 16.5 1.0 CG A:ASN171 3.2 18.8 1.0 O A:HOH832 3.3 59.7 0.8 PA A:ATP403 3.3 18.3 1.0 CB A:ASP184 3.5 12.8 1.0 ND2 A:ASN171 3.5 16.1 1.0 O3G A:ATP403 3.6 24.5 1.0 PB A:ATP403 3.7 23.1 1.0 O1B A:ATP403 3.8 25.5 1.0 MG A:MG401 3.8 17.0 1.0 O3A A:ATP403 3.8 18.0 1.0 O1G A:ATP403 4.0 26.6 1.0 OD1 A:ASP184 4.1 17.2 1.0 CE A:LYS168 4.2 20.8 1.0 O1A A:ATP403 4.3 20.2 1.0 O3' A:ATP403 4.3 18.2 1.0 O S:HOH708 4.3 22.2 1.0 O A:HOH537 4.4 24.7 1.0 O5' A:ATP403 4.4 17.4 1.0 NZ A:LYS168 4.4 20.1 1.0 OD2 A:ASP166 4.5 18.4 1.0 CB A:ASN171 4.5 14.2 1.0 C5' A:ATP403 4.6 16.9 1.0 O A:HOH513 4.7 22.7 1.0 OG S:SER621 4.8 28.8 0.4 O A:HOH564 4.8 29.0 1.0 CA A:ASN171 4.9 13.5 1.0 C3' A:ATP403 4.9 20.3 1.0 O A:GLU170 4.9 18.6 1.0 CA A:ASP184 5.0 14.3 1.0

A.Das, O.Gerlits, J.M.Parks, P.Langan, A.Kovalevsky, W.T.Heller. Protein Kinase A Catalytic Subunit Primed For Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure V. 23 2331 2015.
ISSN: ISSN 0969-2126
PubMed: 26585512
DOI: 10.1016/J.STR.2015.10.005