Magnesium in PDB 7r7f: Synechococcus Olefin Synthase Faal Domain R336A in Complex with Stearoyl Adenylate and Pyrophosphate

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

The structure of Synechococcus Olefin Synthase Faal Domain R336A in Complex with Stearoyl Adenylate and Pyrophosphate, PDB code: 7r7f 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)	50.50 / 2.13
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	199.087, 60.602, 95.143, 90, 101.11, 90
R / Rfree (%)	21.1 / 24.5

The binding sites of Magnesium atom in the Synechococcus Olefin Synthase Faal Domain R336A in Complex with Stearoyl Adenylate and Pyrophosphate (pdb code 7r7f). 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 R336A in Complex with Stearoyl Adenylate and Pyrophosphate, PDB code: 7r7f:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Synechococcus Olefin Synthase Faal Domain R336A in Complex with Stearoyl 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 R336A in Complex with Stearoyl Adenylate and Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:39.9 occ:1.00 O3 A:POP601 2.0 38.4 1.0 O A:HOH709 2.1 30.2 1.0 O5 A:POP601 2.3 40.1 1.0 O A:HOH769 2.3 29.0 1.0 O A:HOH763 2.3 29.9 1.0 O A:HOH745 2.3 38.8 1.0 P1 A:POP601 3.2 44.0 1.0 P2 A:POP601 3.4 39.3 1.0 O A:POP601 3.5 39.3 1.0 O2 A:POP601 3.9 42.4 1.0 OE2 A:GLU325 3.9 26.9 1.0 NZ A:LYS177 3.9 34.9 1.0 O4 A:POP601 4.0 39.1 1.0 NH1 A:ARG449 4.3 32.1 1.0 OE1 A:GLU325 4.3 23.6 1.0 CE A:MET323 4.3 26.2 1.0 O1 A:POP601 4.4 39.7 1.0 CD A:GLU325 4.5 25.8 1.0 CG2 A:THR169 4.5 30.8 1.0 CB A:THR169 4.6 32.5 1.0 O A:HOH720 4.6 25.9 1.0 O6 A:POP601 4.6 40.1 1.0 C09 A:1T1602 4.7 36.5 1.0 O35 A:1T1602 4.7 30.1 1.0 O33 A:1T1602 4.7 40.6 1.0 CE A:LYS177 4.8 31.3 1.0

Magnesium binding site 2 out of 2 in the Synechococcus Olefin Synthase Faal Domain R336A in Complex with Stearoyl 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 R336A in Complex with Stearoyl Adenylate and Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg603 b:38.2 occ:1.00 O2 B:POP601 2.0 34.9 1.0 O5 B:POP601 2.0 38.4 1.0 O B:HOH727 2.1 32.5 1.0 O B:HOH813 2.2 37.6 1.0 O B:HOH751 2.3 31.7 1.0 P1 B:POP601 3.1 36.3 1.0 P2 B:POP601 3.2 46.2 1.0 O B:POP601 3.4 35.8 1.0 O3 B:POP601 3.6 38.0 1.0 O4 B:POP601 3.7 35.5 1.0 NH1 B:ARG449 3.9 36.1 1.0 OE2 B:GLU325 4.2 31.4 1.0 NZ B:LYS177 4.2 32.9 1.0 O B:HOH710 4.2 37.6 1.0 O B:HOH780 4.3 29.1 1.0 O1 B:POP601 4.4 33.5 1.0 O6 B:POP601 4.4 40.1 1.0 OE1 B:GLU325 4.4 25.9 1.0 CE B:MET323 4.4 27.8 1.0 C09 B:1T1602 4.5 37.3 1.0 CB B:THR169 4.7 33.4 1.0 CG2 B:THR169 4.8 31.4 1.0 CD B:GLU325 4.8 29.1 1.0 O33 B:1T1602 4.8 36.1 1.0 O35 B:1T1602 4.8 30.4 1.0 O10 B:1T1602 4.9 35.6 1.0 C08 B:1T1602 4.9 35.5 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.