Magnesium in PDB 5zch: Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba

All present enzymatic activity of Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba:
3.1.3.16;

The structure of Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba, PDB code: 5zch was solved by S.Lee, S.Han, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.79 / 2.47
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	71.731, 76.028, 78.586, 62.30, 73.09, 65.01
R / Rfree (%)	20.6 / 23

The binding sites of Magnesium atom in the Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba (pdb code 5zch). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba, PDB code: 5zch:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba


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 OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:44.2 occ:1.00 OD1 A:ASP306 2.0 44.0 1.0 O A:HOH508 2.1 47.7 1.0 O A:HOH518 2.1 46.4 1.0 OD2 A:ASP118 2.1 49.0 1.0 OD2 A:ASP368 2.3 67.5 1.0 O A:HOH532 2.4 42.2 1.0 CG A:ASP306 2.9 42.9 1.0 CG A:ASP118 3.0 52.2 1.0 OD2 A:ASP306 3.1 43.2 1.0 OD1 A:ASP118 3.2 53.2 1.0 CG A:ASP368 3.4 66.4 1.0 O A:HOH540 3.6 43.8 1.0 MG A:MG402 3.9 58.3 1.0 OD1 A:ASP368 3.9 68.1 1.0 O A:HOH513 4.1 37.0 1.0 CB A:ASP306 4.3 41.5 1.0 N A:GLY307 4.3 50.3 1.0 CB A:ASP118 4.5 46.4 1.0 N A:ASP306 4.5 44.6 1.0 CB A:ASP368 4.6 62.5 1.0 OD1 A:ASP75 4.7 51.1 1.0 O A:HOH506 4.7 54.0 1.0 CA A:ASP306 4.8 45.8 1.0 C A:ASP306 4.8 53.3 1.0 CB A:SER305 4.8 42.6 1.0 O A:ASN369 4.9 46.0 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba


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 OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:58.3 occ:1.00 OD1 A:ASP118 2.1 53.2 1.0 O A:HOH506 2.1 54.0 1.0 O A:HOH531 2.3 32.6 1.0 O A:GLY119 2.3 32.2 1.0 O A:HOH518 2.3 46.4 1.0 O A:HOH540 2.5 43.8 1.0 CG A:ASP118 3.3 52.2 1.0 C A:GLY119 3.5 31.8 1.0 OD1 A:ASP75 3.7 51.1 1.0 N A:GLY119 3.8 27.2 1.0 MG A:MG401 3.9 44.2 1.0 OD2 A:ASP118 3.9 49.0 1.0 OE1 A:GLU74 4.1 55.7 1.0 CB A:GLU74 4.1 44.2 1.0 C A:ASP118 4.1 38.9 1.0 O A:HOH527 4.2 31.0 1.0 CA A:GLY119 4.2 29.2 1.0 O A:HOH508 4.3 47.7 1.0 O A:HOH532 4.3 42.2 1.0 OD1 A:ASN369 4.4 52.6 1.0 CB A:ASP118 4.4 46.4 1.0 CA A:ASP118 4.5 42.2 1.0 O A:GLU74 4.5 48.8 1.0 N A:HIS120 4.5 31.8 1.0 O A:HOH546 4.5 52.6 1.0 C A:GLU74 4.5 44.2 1.0 O A:ASP118 4.6 43.7 1.0 OD1 A:ASP368 4.7 68.1 1.0 CA A:HIS120 4.7 35.2 1.0 CG A:ASP75 4.9 50.7 1.0 N A:ASP75 4.9 38.4 1.0 CA A:GLU74 4.9 47.1 1.0 OD2 A:ASP368 4.9 67.5 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:54.6 occ:1.00 O B:HOH553 2.1 53.1 1.0 O B:HOH526 2.2 45.3 1.0 O B:GLY119 2.4 37.5 1.0 O B:HOH536 2.6 37.5 1.0 OD1 B:ASP118 2.7 37.5 1.0 O B:HOH509 3.0 48.4 1.0 C B:GLY119 3.6 35.6 1.0 CG B:ASP118 3.7 36.7 1.0 O B:HOH517 3.8 43.3 1.0 OE1 B:GLU74 4.0 48.5 1.0 MG B:MG402 4.0 35.1 1.0 OD2 B:ASP118 4.1 35.6 1.0 OG D:SER100 4.4 50.6 1.0 CA B:HIS120 4.4 37.7 1.0 N B:HIS120 4.5 33.3 1.0 N B:GLY119 4.5 27.0 1.0 OD1 B:ASP368 4.5 51.3 1.0 CB B:GLU74 4.6 38.4 1.0 CB D:SER100 4.6 39.7 1.0 CB B:HIS120 4.6 38.0 1.0 CA B:GLY119 4.7 31.4 1.0 C B:ASP118 4.7 28.6 1.0 OD1 B:ASP75 4.7 44.9 1.0 O B:HOH519 4.8 42.7 1.0 OD1 B:ASN369 4.9 47.1 1.0 OD2 B:ASP368 5.0 50.4 1.0 CB B:ASP118 5.0 32.0 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:35.1 occ:1.00 OD1 B:ASP306 2.0 36.9 1.0 OD2 B:ASP118 2.0 35.6 1.0 O B:HOH519 2.2 42.7 1.0 OD2 B:ASP368 2.2 50.4 1.0 O B:HOH526 2.3 45.3 1.0 O B:HOH517 2.4 43.3 1.0 CG B:ASP118 3.0 36.7 1.0 CG B:ASP306 3.0 34.2 1.0 OD1 B:ASP118 3.2 37.5 1.0 CG B:ASP368 3.2 52.2 1.0 OD2 B:ASP306 3.4 33.7 1.0 OD1 B:ASP368 3.6 51.3 1.0 MG B:MG401 4.0 54.6 1.0 N B:GLY307 4.1 43.0 1.0 O B:HOH553 4.3 53.1 1.0 O B:ASN369 4.3 43.6 1.0 CB B:ASP118 4.3 32.0 1.0 N B:ASP306 4.4 34.3 1.0 CB B:ASP306 4.4 30.1 1.0 OD1 B:ASP75 4.5 44.9 1.0 CB B:ASP368 4.5 59.0 1.0 O B:HOH536 4.5 37.5 1.0 CB B:SER305 4.6 40.9 1.0 C B:ASP306 4.6 38.8 1.0 CA B:ASP306 4.7 36.0 1.0 OG B:SER305 4.7 36.0 1.0 CA B:GLY307 4.8 44.6 1.0

S.Lee, S.Han. Crystal Structure of OSPP2C50 I267W:Ospyl/RCAR3 with (+)-Aba To Be Published.