Magnesium in PDB 5jrh: Crystal Structure of Salmonella Enterica Acetyl-Coa Synthetase (Acs) in Complex with Camp and Coenzyme A

All present enzymatic activity of Crystal Structure of Salmonella Enterica Acetyl-Coa Synthetase (Acs) in Complex with Camp and Coenzyme A:
6.2.1.1;

The structure of Crystal Structure of Salmonella Enterica Acetyl-Coa Synthetase (Acs) in Complex with Camp and Coenzyme A, PDB code: 5jrh was solved by L.Shen, Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.58 / 1.64
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.193, 144.339, 71.734, 90.00, 91.73, 90.00
R / Rfree (%)	16.9 / 20.7

The binding sites of Magnesium atom in the Crystal Structure of Salmonella Enterica Acetyl-Coa Synthetase (Acs) in Complex with Camp and Coenzyme A (pdb code 5jrh). 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 Salmonella Enterica Acetyl-Coa Synthetase (Acs) in Complex with Camp and Coenzyme A, PDB code: 5jrh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Salmonella Enterica Acetyl-Coa Synthetase (Acs) in Complex with Camp and Coenzyme A


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 Salmonella Enterica Acetyl-Coa Synthetase (Acs) in Complex with Camp and Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg703 b:15.0 occ:1.00 O A:HIS539 2.6 19.5 1.0 O A:ILE542 2.6 21.2 1.0 O A:VAL537 2.7 21.6 1.0 O A:HOH1141 2.7 29.4 1.0 O A:HOH1008 2.9 26.6 1.0 C A:HIS539 3.7 21.5 1.0 C A:VAL537 3.7 17.0 1.0 C A:ILE542 3.8 19.0 1.0 N A:ILE542 4.2 16.9 1.0 CA A:PRO540 4.2 23.9 1.0 C A:PRO540 4.2 22.9 1.0 C A:ALA538 4.3 15.2 1.0 O A:PRO540 4.3 25.5 1.0 N A:HIS539 4.4 14.0 1.0 N A:PRO540 4.4 18.0 1.0 O A:ALA538 4.4 18.6 1.0 CA A:ILE542 4.5 16.4 1.0 CA A:VAL537 4.5 14.7 1.0 N A:ALA538 4.6 14.4 1.0 ND2 A:ASN566 4.7 29.2 1.0 CA A:ALA538 4.7 15.7 1.0 CA A:HIS539 4.7 16.9 1.0 N A:LYS541 4.8 18.0 1.0 CB A:ILE542 4.8 14.8 1.0 N A:ALA543 4.9 18.4 1.0 O A:HOH1258 4.9 28.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Salmonella Enterica Acetyl-Coa Synthetase (Acs) in Complex with Camp and Coenzyme A


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 Salmonella Enterica Acetyl-Coa Synthetase (Acs) in Complex with Camp and Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:11.0 occ:1.00 O B:VAL537 2.5 13.3 1.0 O B:HOH1225 2.6 29.5 1.0 O B:ILE542 2.6 13.8 1.0 O B:HIS539 2.7 13.4 1.0 O B:HOH1142 2.7 20.9 1.0 O B:HOH1261 2.8 33.0 1.0 C B:HIS539 3.7 12.3 1.0 C B:VAL537 3.7 14.8 1.0 C B:ILE542 3.8 13.1 1.0 O B:PRO540 4.0 18.2 1.0 CA B:PRO540 4.1 16.7 1.0 C B:PRO540 4.1 19.4 1.0 N B:ILE542 4.2 13.0 1.0 O B:HOH1144 4.3 19.2 1.0 N B:PRO540 4.3 13.2 1.0 C B:ALA538 4.3 18.3 1.0 CG1 B:VAL537 4.4 17.4 1.0 N B:HIS539 4.4 12.7 1.0 ND2 B:ASN566 4.4 24.3 1.0 CA B:ILE542 4.5 12.1 1.0 CA B:VAL537 4.5 12.6 1.0 O B:ALA538 4.5 17.9 1.0 N B:ALA538 4.7 11.8 1.0 CA B:ALA538 4.7 15.2 1.0 CA B:HIS539 4.7 13.3 1.0 N B:ALA543 4.8 14.2 1.0 N B:LYS541 4.8 14.5 1.0 CB B:ILE542 4.8 15.3 1.0 CA B:ALA543 5.0 12.8 1.0

X.Han, L.Shen, Q.Wang, X.Cen, J.Wang, M.Wu, P.Li, W.Zhao, Y.Zhang, G.Zhao. Cyclic Amp Inhibits the Activity and Promotes the Acetylation of Acetyl-Coa Synthetase Through Competitive Binding to the Atp/Amp Pocket. J. Biol. Chem. V. 292 1374 2017.
ISSN: ESSN 1083-351X
PubMed: 27974467
DOI: 10.1074/JBC.M116.753640