Magnesium in PDB 4ntt: Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Bound to Adp and One Magnesium Ion

All present enzymatic activity of Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Bound to Adp and One Magnesium Ion:
2.7.11.11;

The structure of Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Bound to Adp and One Magnesium Ion, PDB code: 4ntt was solved by A.C.Bastidas, J.Wu, S.S.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.58 / 3.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.480, 143.150, 62.570, 90.00, 103.61, 90.00
R / Rfree (%)	22.7 / 28.4

The binding sites of Magnesium atom in the Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Bound to Adp and One Magnesium Ion (pdb code 4ntt). 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 the Catalytic Subunit of Camp-Dependent Protein Kinase Bound to Adp and One Magnesium Ion, PDB code: 4ntt:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Bound to Adp and One Magnesium Ion


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Bound to Adp and One Magnesium Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:62.2 occ:1.00 O2A A:ADP401 1.9 0.7 1.0 OD2 A:ASP184 2.4 86.0 1.0 O3B A:ADP401 2.7 0.0 1.0 PA A:ADP401 3.1 0.5 1.0 OD1 A:ASN171 3.2 85.6 1.0 O3A A:ADP401 3.6 0.2 1.0 CG A:ASP184 3.6 85.3 1.0 PB A:ADP401 3.7 0.3 1.0 O1A A:ADP401 3.9 0.2 1.0 CB A:ASP184 4.3 85.4 1.0 CG A:ASN171 4.4 84.7 1.0 O5' A:ADP401 4.4 0.4 1.0 OD1 A:ASP184 4.6 84.8 1.0 C5' A:ADP401 4.6 1.0 1.0 O1B A:ADP401 4.7 0.7 1.0 O2B A:ADP401 4.8 0.9 1.0

Magnesium binding site 2 out of 2 in the Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Bound to Adp and One Magnesium Ion


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Catalytic Subunit of Camp-Dependent Protein Kinase Bound to Adp and One Magnesium Ion within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:78.8 occ:1.00 O2A B:ADP401 2.4 0.3 1.0 O3B B:ADP401 2.7 0.2 1.0 OD2 B:ASP184 2.7 86.5 1.0 OD1 B:ASN171 3.2 85.3 1.0 PA B:ADP401 3.4 0.1 1.0 CG B:ASP184 3.7 85.2 1.0 O1A B:ADP401 3.8 0.2 1.0 CB B:ASP184 3.9 84.2 1.0 PB B:ADP401 4.0 0.6 1.0 O3A B:ADP401 4.1 0.2 1.0 CG B:ASN171 4.2 83.8 1.0 CE B:LYS168 4.6 87.4 1.0 ND2 B:ASN171 4.6 83.1 1.0 NZ B:LYS168 4.7 89.8 1.0 OD1 B:ASP184 4.8 85.0 1.0 O5' B:ADP401 4.8 0.9 1.0 OD2 B:ASP166 4.8 84.1 1.0 O2B B:ADP401 4.9 1.0 1.0

A.C.Bastidas, J.Wu, S.S.Taylor. Molecular Features of Product Release For the Pka Catalytic Cycle. Biochemistry 2014.
ISSN: ISSN 0006-2960
PubMed: 25077557
DOI: 10.1021/BI500684C