Magnesium in PDB 5tv8: A. Aeolicus Biow with Amp-Cpp and Pimelate

All present enzymatic activity of A. Aeolicus Biow with Amp-Cpp and Pimelate:
6.2.1.14;

The structure of A. Aeolicus Biow with Amp-Cpp and Pimelate, PDB code: 5tv8 was solved by P.Estrada, M.Manandhar, S.-H.Dong, J.Deveryshetty, V.Agarwal, J.E.Cronan, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.576, 106.381, 113.553, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.9

The binding sites of Magnesium atom in the A. Aeolicus Biow with Amp-Cpp and Pimelate (pdb code 5tv8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the A. Aeolicus Biow with Amp-Cpp and Pimelate, PDB code: 5tv8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the A. Aeolicus Biow with Amp-Cpp and Pimelate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A. Aeolicus Biow with Amp-Cpp and Pimelate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:50.6 occ:1.00 O2B A:APC301 2.5 82.8 1.0 NH2 A:ARG159 2.9 63.1 1.0 O1B A:APC301 3.2 97.5 1.0 OD1 A:ASP183 3.3 80.3 1.0 O2A A:APC301 3.3 70.2 1.0 PB A:APC301 3.3 89.2 1.0 CB A:ASP184 3.8 52.7 1.0 N A:ASP184 3.9 53.5 1.0 CZ A:ARG159 4.1 57.6 1.0 CA A:ASP184 4.2 53.1 1.0 C3A A:APC301 4.3 80.5 1.0 OG A:SER182 4.3 44.3 1.0 PA A:APC301 4.4 70.8 1.0 CG A:ASP183 4.4 72.2 1.0 NH1 A:ARG159 4.6 56.8 1.0 O3B A:APC301 4.7 94.6 1.0 C A:ASP183 4.8 58.1 1.0 CG A:ASP184 4.9 56.2 1.0 N A:ASP183 4.9 49.9 1.0

Magnesium binding site 2 out of 2 in the A. Aeolicus Biow with Amp-Cpp and Pimelate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A. Aeolicus Biow with Amp-Cpp and Pimelate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:64.8 occ:1.00 O1B B:APC301 2.4 0.3 1.0 OD1 B:ASP183 3.1 91.2 1.0 NH2 B:ARG159 3.5 77.8 1.0 O2B B:APC301 3.6 0.1 1.0 PB B:APC301 3.6 95.0 1.0 CB B:ASP184 3.9 75.6 1.0 N B:ASP184 4.0 70.4 1.0 O1A B:APC301 4.1 74.2 1.0 CA B:ASP184 4.2 72.8 1.0 CG B:ASP183 4.4 86.8 1.0 OD2 B:ASP184 4.5 72.3 1.0 OG B:SER182 4.5 60.3 1.0 O3B B:APC301 4.5 0.7 1.0 CG B:ASP184 4.6 76.8 1.0 CZ B:ARG159 4.7 73.1 1.0 C B:ASP183 4.9 74.0 1.0 C3A B:APC301 4.9 84.7 1.0 NH1 B:ARG159 5.0 70.4 1.0

P.Estrada, M.Manandhar, S.H.Dong, J.Deveryshetty, V.Agarwal, J.E.Cronan, S.K.Nair. The Pimeloyl-Coa Synthetase Biow Defines A New Fold For Adenylate-Forming Enzymes. Nat. Chem. Biol. V. 13 668 2017.
ISSN: ESSN 1552-4469
PubMed: 28414711
DOI: 10.1038/NCHEMBIO.2359