Magnesium in PDB 7e12: Crystal Structure of Pkac-A11E Complex

All present enzymatic activity of Crystal Structure of Pkac-A11E Complex:
2.7.11.11;

The structure of Crystal Structure of Pkac-A11E Complex, PDB code: 7e12 was solved by J.Qin, L.Lin, Z.Yuchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.18 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.558, 69.372, 56.237, 90, 101.97, 90
R / Rfree (%)	20.3 / 25.2

The binding sites of Magnesium atom in the Crystal Structure of Pkac-A11E Complex (pdb code 7e12). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Pkac-A11E Complex, PDB code: 7e12:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Pkac-A11E Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Pkac-A11E Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:34.1 occ:1.00 O2G A:ANP401 2.1 33.3 1.0 O1B A:ANP401 2.1 33.5 1.0 OD1 A:ASP184 2.2 34.8 1.0 OD2 A:ASP184 2.3 33.9 1.0 CG A:ASP184 2.6 33.9 1.0 PG A:ANP401 3.2 33.1 1.0 O1G A:ANP401 3.4 33.4 1.0 PB A:ANP401 3.5 32.7 1.0 OD2 A:ASP166 3.7 36.5 1.0 O2A A:ANP401 3.8 34.6 1.0 N3B A:ANP401 4.0 34.5 1.0 OG B:SER16 4.0 35.9 1.0 CB A:ASP184 4.1 33.4 1.0 O2B A:ANP401 4.3 36.4 1.0 MG A:MG403 4.4 32.4 1.0 CA A:GLY186 4.5 36.1 1.0 O3G A:ANP401 4.5 34.6 1.0 O3A A:ANP401 4.5 34.9 1.0 N A:GLY186 4.6 35.8 1.0 PA A:ANP401 4.7 34.7 1.0 CB B:SER16 4.8 37.3 1.0 CG A:ASP166 4.9 37.0 1.0 CA A:ASP184 4.9 34.0 1.0 O A:ASP184 5.0 33.5 1.0 CE2 A:PHE187 5.0 38.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Pkac-A11E Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Pkac-A11E Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:32.4 occ:1.00 O2A A:ANP401 2.0 34.6 1.0 O1G A:ANP401 2.0 33.4 1.0 OD1 A:ASN171 2.0 34.9 1.0 OD2 A:ASP184 2.9 33.9 1.0 PG A:ANP401 3.1 33.1 1.0 CG A:ASN171 3.1 33.4 1.0 N3B A:ANP401 3.1 34.5 1.0 PA A:ANP401 3.3 34.7 1.0 O5' A:ANP401 3.5 35.7 1.0 CG A:ASP184 3.7 33.9 1.0 ND2 A:ASN171 3.7 33.2 1.0 CE A:LYS168 3.9 34.1 1.0 PB A:ANP401 3.9 32.7 1.0 O1B A:ANP401 3.9 33.5 1.0 CB A:ASP184 4.0 33.4 1.0 O3A A:ANP401 4.1 34.9 1.0 O3' A:ANP401 4.1 35.2 1.0 NZ A:LYS168 4.1 35.0 1.0 O2G A:ANP401 4.1 33.3 1.0 O3G A:ANP401 4.1 34.6 1.0 O A:GLU170 4.2 35.2 1.0 O1A A:ANP401 4.4 34.2 1.0 CB A:ASN171 4.4 33.3 1.0 MG A:MG402 4.4 34.1 1.0 C A:GLU170 4.5 34.7 1.0 CA A:ASN171 4.6 33.9 1.0 N A:ASN171 4.6 34.5 1.0 OD1 A:ASP184 4.7 34.8 1.0 OD2 A:ASP166 4.7 36.5 1.0 CB A:GLU170 4.8 36.0 1.0 C3' A:ANP401 4.8 35.8 1.0 NH2 B:ARG13 4.8 38.0 1.0 C5' A:ANP401 4.8 35.1 1.0

J.Qin, J.Zhang, L.Lin, O.Haji-Ghassemi, Z.Lin, K.J.Woycechowsky, F.Van Petegem, Y.Zhang, Z.Yuchi. Structures of Pka-Phospholamban Complexes Reveal A Mechanism of Familial Dilated Cardiomyopathy. Elife V. 11 2022.
ISSN: ESSN 2050-084X
PubMed: 35297759
DOI: 10.7554/ELIFE.75346