Magnesium in PDB 1q24: Pka Double Mutant Model of Pkb in Complex with Mgatp

All present enzymatic activity of Pka Double Mutant Model of Pkb in Complex with Mgatp:
2.7.1.37;

The structure of Pka Double Mutant Model of Pkb in Complex with Mgatp, PDB code: 1q24 was solved by M.Gassel, C.B.Breitenlechner, P.Rueger, U.Jucknischke, T.Schneider, R.Huber, D.Bossemeyer, R.A.Engh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.05 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.286, 75.387, 80.377, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25

The binding sites of Magnesium atom in the Pka Double Mutant Model of Pkb in Complex with Mgatp (pdb code 1q24). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Pka Double Mutant Model of Pkb in Complex with Mgatp, PDB code: 1q24:

Magnesium binding site 1 out of 1 in the Pka Double Mutant Model of Pkb in Complex with Mgatp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pka Double Mutant Model of Pkb in Complex with Mgatp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:17.6 occ:1.00 OD2 A:ASP184 2.3 11.5 1.0 O3G A:ATP400 2.4 24.0 1.0 O2B A:ATP400 2.5 20.5 1.0 OD1 A:ASP184 2.6 14.7 1.0 CG A:ASP184 2.8 13.9 1.0 OD2 A:ASP166 3.5 9.4 1.0 PG A:ATP400 3.6 24.7 1.0 PB A:ATP400 3.9 21.1 1.0 O1G A:ATP400 4.0 23.5 1.0 CA A:GLY186 4.1 11.8 1.0 O3B A:ATP400 4.2 23.3 1.0 N A:GLY186 4.2 12.2 1.0 CD1 A:PHE54 4.2 22.2 1.0 CE1 A:PHE54 4.2 23.2 1.0 CB A:ASP184 4.3 14.1 1.0 CG A:ASP166 4.6 7.8 1.0 CE2 A:PHE187 4.6 7.9 1.0 CZ A:PHE187 4.6 7.8 1.0 NZ A:LYS72 4.7 12.7 1.0 O A:HOH507 4.7 12.3 1.0 O2A A:ATP400 4.7 19.7 1.0 C A:GLY186 4.7 11.2 1.0 O1B A:ATP400 4.7 22.7 1.0 ND2 A:ASN171 4.8 10.0 1.0 CD2 A:PHE187 4.9 7.8 1.0 CE1 A:PHE187 4.9 8.4 1.0 N A:PHE187 4.9 10.2 1.0 O2G A:ATP400 4.9 24.1 1.0 O3A A:ATP400 4.9 21.8 1.0 O A:ASP184 5.0 14.1 1.0 CB I:ALA21 5.0 26.1 1.0 C A:ASP184 5.0 14.1 1.0

M.Gassel, C.B.Breitenlechner, P.Rueger, U.Jucknischke, T.Schneider, R.Huber, D.Bossemeyer, R.A.Engh. Mutants of Protein Kinase A That Mimic the Atp-Binding Site of Protein Kinase B (Akt) J.Mol.Biol. V. 329 1021 2003.
ISSN: ISSN 0022-2836
PubMed: 12798691
DOI: 10.1016/S0022-2836(03)00518-7