Magnesium in PDB 7r7g: Synechococcus Olefin Synthase Faal Domain A229I/R336A in Complex with Palmitoyl Adenylate and Pyrophosphate

All present enzymatic activity of Synechococcus Olefin Synthase Faal Domain A229I/R336A in Complex with Palmitoyl Adenylate and Pyrophosphate:
6.2.1.20;

The structure of Synechococcus Olefin Synthase Faal Domain A229I/R336A in Complex with Palmitoyl Adenylate and Pyrophosphate, PDB code: 7r7g was solved by A.P.Sikkema, R.M.Strugis, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.41 / 2.25
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	201.244, 60.921, 95.752, 90, 101.11, 90
R / Rfree (%)	23 / 25.6

The binding sites of Magnesium atom in the Synechococcus Olefin Synthase Faal Domain A229I/R336A in Complex with Palmitoyl Adenylate and Pyrophosphate (pdb code 7r7g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Synechococcus Olefin Synthase Faal Domain A229I/R336A in Complex with Palmitoyl Adenylate and Pyrophosphate, PDB code: 7r7g:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Synechococcus Olefin Synthase Faal Domain A229I/R336A in Complex with Palmitoyl Adenylate and Pyrophosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Synechococcus Olefin Synthase Faal Domain A229I/R336A in Complex with Palmitoyl Adenylate and Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:49.1 occ:1.00 O A:HOH789 2.0 35.4 1.0 O3 A:POP602 2.1 43.2 1.0 O A:HOH745 2.1 37.2 1.0 O6 A:POP602 2.3 44.1 1.0 O A:HOH742 2.6 37.3 1.0 P1 A:POP602 3.1 48.3 1.0 P2 A:POP602 3.4 48.2 1.0 O A:POP602 3.4 43.6 1.0 O2 A:POP602 3.5 49.8 1.0 NH1 A:ARG449 3.8 44.9 1.0 NZ A:LYS177 4.0 46.7 1.0 O4 A:POP602 4.0 48.7 1.0 O A:HOH764 4.1 34.2 1.0 O1 A:POP602 4.5 44.4 1.0 O5 A:POP602 4.6 43.0 1.0 OE2 A:GLU325 4.6 42.4 1.0 OG1 A:THR173 4.6 52.5 1.0 O33 A:1TF601 4.7 36.4 1.0 OE1 A:GLU325 4.8 35.0 1.0 CE A:MET323 4.8 31.8 1.0 O A:THR433 4.9 26.4 1.0 CE A:LYS177 5.0 39.7 1.0

Magnesium binding site 2 out of 2 in the Synechococcus Olefin Synthase Faal Domain A229I/R336A in Complex with Palmitoyl Adenylate and Pyrophosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Synechococcus Olefin Synthase Faal Domain A229I/R336A in Complex with Palmitoyl Adenylate and Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg603 b:48.8 occ:1.00 O B:HOH727 2.0 42.3 1.0 O B:HOH735 2.0 37.9 1.0 O5 B:POP602 2.1 44.5 1.0 O2 B:POP602 2.1 40.1 1.0 O B:HOH764 2.3 36.6 1.0 P2 B:POP602 3.2 47.3 1.0 P1 B:POP602 3.3 46.5 1.0 O B:POP602 3.5 46.8 1.0 O4 B:POP602 3.7 49.6 1.0 NH1 B:ARG449 3.8 43.0 1.0 O3 B:POP602 3.9 50.2 1.0 O B:HOH794 4.0 34.2 1.0 OE2 B:GLU325 4.5 30.6 1.0 O6 B:POP602 4.5 43.0 1.0 NZ B:LYS177 4.5 46.3 1.0 CE B:MET323 4.5 31.9 1.0 O1 B:POP602 4.5 46.6 1.0 O31 B:1TF601 4.6 36.1 1.0 O33 B:1TF601 4.6 40.6 1.0 OE1 B:GLU325 4.6 32.0 1.0 C09 B:1TF601 4.8 41.0 1.0 CG2 B:THR169 4.9 37.3 1.0 CB B:THR169 4.9 39.9 1.0 O10 B:1TF601 4.9 42.3 1.0 C08 B:1TF601 5.0 39.1 1.0 CD B:GLU325 5.0 32.3 1.0

A.P.Sikkema, R.M.Sturgis, W.H.Gerwick, D.H.Sherman, J.L.Smith. An Electrostatic Fatty Acid Selection Mechanism By the Olefin Synthase Faal Domain From Synechococcus Sp. PCC7002 To Be Published.