Magnesium in PDB 8ukp: Camp-Dependent Protein Kinase A Catalytic Domain in Complex with Voltage Gated Calcium Channel Peptide Ternary Complex 1

All present enzymatic activity of Camp-Dependent Protein Kinase A Catalytic Domain in Complex with Voltage Gated Calcium Channel Peptide Ternary Complex 1:
2.7.11.11;

The structure of Camp-Dependent Protein Kinase A Catalytic Domain in Complex with Voltage Gated Calcium Channel Peptide Ternary Complex 1, PDB code: 8ukp was solved by O.Haji-Ghassemi, F.Van Petegem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.80 / 2.85
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	118.63, 118.63, 57.11, 90, 90, 90
R / Rfree (%)	24 / 28.1

The binding sites of Magnesium atom in the Camp-Dependent Protein Kinase A Catalytic Domain in Complex with Voltage Gated Calcium Channel Peptide Ternary Complex 1 (pdb code 8ukp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Camp-Dependent Protein Kinase A Catalytic Domain in Complex with Voltage Gated Calcium Channel Peptide Ternary Complex 1, PDB code: 8ukp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Camp-Dependent Protein Kinase A Catalytic Domain in Complex with Voltage Gated Calcium Channel Peptide Ternary Complex 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Camp-Dependent Protein Kinase A Catalytic Domain in Complex with Voltage Gated Calcium Channel Peptide Ternary Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg2001 b:46.0 occ:1.00 O C:HOH2101 2.1 48.5 1.0 O E:HOH501 2.2 40.3 1.0 O1G E:ANP402 2.2 71.9 1.0 O1B E:ANP402 2.4 84.0 1.0 O E:HOH506 2.6 55.9 1.0 PG E:ANP402 3.2 99.0 1.0 O3G E:ANP402 3.3 88.2 1.0 OG C:SER1981 3.3 96.6 1.0 MG E:MG401 3.5 47.9 1.0 PB E:ANP402 3.7 107.3 1.0 OD2 E:ASP184 3.8 62.0 1.0 N3B E:ANP402 4.0 85.0 1.0 O2A E:ANP402 4.1 77.8 1.0 CB C:SER1981 4.3 76.6 1.0 N C:SER1981 4.4 77.0 1.0 O2B E:ANP402 4.4 104.3 1.0 NZ E:LYS168 4.5 52.5 1.0 O2G E:ANP402 4.5 68.6 1.0 O3A E:ANP402 4.8 75.2 1.0 CA C:SER1981 5.0 87.4 1.0 CG E:ASP184 5.0 71.0 1.0

Magnesium binding site 2 out of 2 in the Camp-Dependent Protein Kinase A Catalytic Domain in Complex with Voltage Gated Calcium Channel Peptide Ternary Complex 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Camp-Dependent Protein Kinase A Catalytic Domain in Complex with Voltage Gated Calcium Channel Peptide Ternary Complex 1 within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg401 b:47.9 occ:1.00 OD1 E:ASN171 2.1 42.9 1.0 O E:HOH506 2.2 55.9 1.0 O3G E:ANP402 2.5 88.2 1.0 O2A E:ANP402 2.7 77.8 1.0 CG E:ASN171 3.2 32.0 1.0 MG C:MG2001 3.5 46.0 1.0 OD2 E:ASP184 3.6 62.0 1.0 O E:GLU170 3.7 34.4 1.0 ND2 E:ASN171 3.7 36.8 1.0 O1B E:ANP402 3.8 84.0 1.0 O E:HOH501 3.8 40.3 1.0 PG E:ANP402 4.0 99.0 1.0 CE E:LYS168 4.0 39.8 1.0 NH2 C:ARG1978 4.0 56.7 1.0 PA E:ANP402 4.1 93.3 1.0 O1G E:ANP402 4.2 71.9 1.0 C E:GLU170 4.3 21.8 1.0 NZ E:LYS168 4.4 52.5 1.0 CB E:ASN171 4.4 23.7 1.0 O5' E:ANP402 4.4 84.4 1.0 CG E:ASP184 4.5 71.0 1.0 CA E:ASN171 4.5 37.8 1.0 CB E:ASP184 4.6 58.7 1.0 N E:ASN171 4.6 33.5 1.0 CB E:GLU170 4.7 27.1 1.0 PB E:ANP402 4.8 107.3 1.0 CZ C:ARG1978 4.8 56.8 1.0 NH1 C:ARG1978 4.9 59.0 1.0 O2G E:ANP402 4.9 68.6 1.0 O3A E:ANP402 5.0 75.2 1.0 N3B E:ANP402 5.0 85.0 1.0

R.Yoo, O.Haji-Ghassemi, M.Bader, J.Xu, C.Mcfarlane, F.Van Petegem. Crystallographic, Kinetic, and Calorimetric Investigation of Pka Interactions with L-Type Calcium Channels and Rad Gtpase. J.Biol.Chem. 08039 2024.
ISSN: ESSN 1083-351X
PubMed: 39615689
DOI: 10.1016/J.JBC.2024.108039