Magnesium in PDB 5zcg: Crystal Structure of OSPP2C50 S265L/I267V:Ospyl/RCAR3 with (+)-Aba

All present enzymatic activity of Crystal Structure of OSPP2C50 S265L/I267V:Ospyl/RCAR3 with (+)-Aba:
3.1.3.16;

The structure of Crystal Structure of OSPP2C50 S265L/I267V:Ospyl/RCAR3 with (+)-Aba, PDB code: 5zcg 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)	32.95 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	70.738, 76.351, 77.942, 62.96, 72.04, 66.93
R / Rfree (%)	20.2 / 23.7

The binding sites of Magnesium atom in the Crystal Structure of OSPP2C50 S265L/I267V:Ospyl/RCAR3 with (+)-Aba (pdb code 5zcg). 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 S265L/I267V:Ospyl/RCAR3 with (+)-Aba, PDB code: 5zcg:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of OSPP2C50 S265L/I267V: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 S265L/I267V:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:24.7 occ:1.00 O A:HOH530 1.9 29.3 1.0 O A:HOH510 2.1 29.7 1.0 OD1 A:ASP306 2.1 28.5 1.0 O A:HOH565 2.1 27.1 1.0 OD2 A:ASP368 2.2 33.4 1.0 OD2 A:ASP118 2.3 29.0 1.0 CG A:ASP118 3.1 27.3 1.0 CG A:ASP368 3.1 32.9 1.0 CG A:ASP306 3.1 28.9 1.0 OD1 A:ASP118 3.2 26.5 1.0 OD2 A:ASP306 3.4 32.9 1.0 OD1 A:ASP368 3.6 33.4 1.0 O A:HOH629 3.7 37.9 1.0 MG A:MG402 3.7 44.0 1.0 O A:HOH515 4.1 25.5 1.0 O A:HOH512 4.1 26.4 1.0 CB A:ASP368 4.1 36.3 1.0 N A:GLY307 4.2 36.1 1.0 O A:HOH537 4.2 31.8 1.0 N A:ASP306 4.4 36.7 1.0 OD1 A:ASP75 4.4 29.1 1.0 CB A:ASP306 4.4 27.1 1.0 CB A:ASP118 4.5 25.2 1.0 O A:ASN369 4.5 25.4 1.0 CB A:SER305 4.6 29.9 1.0 C A:ASP306 4.7 33.6 1.0 CA A:ASP306 4.7 31.4 1.0 OG A:SER305 4.8 32.7 1.0 CA A:GLY307 4.9 33.6 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of OSPP2C50 S265L/I267V: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 S265L/I267V:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:44.0 occ:1.00 O A:HOH515 2.0 25.5 1.0 O A:HOH510 2.1 29.7 1.0 O A:GLY119 2.1 30.2 1.0 OD1 A:ASP118 2.2 26.5 1.0 O A:HOH629 2.2 37.9 1.0 O A:HOH528 2.3 38.2 1.0 C A:GLY119 3.3 24.4 1.0 CG A:ASP118 3.4 27.3 1.0 MG A:MG401 3.7 24.7 1.0 O A:HOH538 3.9 37.5 1.0 O A:HOH530 3.9 29.3 1.0 N A:GLY119 4.0 21.4 1.0 OD2 A:ASP118 4.0 29.0 1.0 OE2 A:GLU74 4.2 37.7 1.0 N A:HIS120 4.2 24.9 1.0 OD1 A:ASP75 4.2 29.1 1.0 C A:ASP118 4.2 23.6 1.0 O A:HOH624 4.2 46.0 1.0 CA A:GLY119 4.2 23.9 1.0 OD1 A:ASP368 4.3 33.4 1.0 CA A:HIS120 4.3 24.2 1.0 CB A:GLU74 4.4 23.7 1.0 OD1 A:ASN369 4.5 30.8 1.0 O A:HOH565 4.5 27.1 1.0 OD2 A:ASP368 4.5 33.4 1.0 O A:ASP118 4.6 24.4 1.0 CB A:HIS120 4.6 22.4 1.0 CB A:ASP118 4.6 25.2 1.0 CA A:ASP118 4.7 26.9 1.0 CG A:ASP368 4.9 32.9 1.0 O A:GLU74 4.9 34.3 1.0 OG C:SER100 4.9 28.5 1.0 C A:GLU74 5.0 31.9 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of OSPP2C50 S265L/I267V: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 S265L/I267V:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:20.3 occ:1.00 O B:HOH522 1.9 25.3 1.0 O B:HOH528 2.0 22.9 1.0 O B:HOH572 2.1 37.6 1.0 OD1 B:ASP306 2.1 26.6 1.0 OD2 B:ASP368 2.1 39.4 1.0 OD2 B:ASP118 2.2 29.9 1.0 CG B:ASP118 3.0 29.8 1.0 CG B:ASP368 3.0 38.9 1.0 CG B:ASP306 3.1 29.4 1.0 OD1 B:ASP118 3.1 28.4 1.0 OD1 B:ASP368 3.4 36.7 1.0 OD2 B:ASP306 3.4 31.4 1.0 O B:HOH614 3.9 47.8 1.0 O B:HOH510 3.9 43.9 1.0 O B:HOH521 4.0 22.2 1.0 O B:HOH544 4.0 35.4 1.0 CB B:ASP368 4.2 41.6 1.0 N B:GLY307 4.3 28.4 1.0 CB B:ASP118 4.3 26.7 1.0 MG B:MG402 4.3 41.9 1.0 O B:ASN369 4.4 25.9 1.0 N B:ASP306 4.4 28.3 1.0 OD1 B:ASP75 4.4 26.6 1.0 CB B:ASP306 4.5 27.2 1.0 CB B:SER305 4.6 28.5 1.0 CA B:ASP306 4.8 29.2 1.0 C B:ASP306 4.8 28.7 1.0 OG B:SER305 4.9 25.0 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of OSPP2C50 S265L/I267V: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 S265L/I267V:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:41.9 occ:1.00 OD1 B:ASP118 2.5 28.4 1.0 OD1 B:ASP75 2.6 26.6 1.0 O B:HOH543 2.8 45.5 1.0 O B:GLY119 2.9 30.4 1.0 O B:HOH528 3.1 22.9 1.0 OD1 B:ASN369 3.1 31.2 1.0 C B:GLU74 3.3 34.4 1.0 N B:ASP75 3.4 37.0 1.0 CB B:GLU74 3.5 30.0 1.0 O B:GLU74 3.6 31.7 1.0 CG B:ASP118 3.6 29.8 1.0 CG B:ASP75 3.7 32.3 1.0 N B:GLY119 3.7 24.6 1.0 CG B:ASN369 3.8 33.5 1.0 CA B:GLU74 3.8 32.5 1.0 O B:HOH614 3.9 47.8 1.0 CB B:ASN369 3.9 31.1 1.0 O B:HOH572 3.9 37.6 1.0 C B:GLY119 3.9 27.4 1.0 CA B:ASP75 4.0 33.5 1.0 C B:ASP118 4.2 25.1 1.0 N B:GLU74 4.2 30.9 1.0 CA B:ASP118 4.3 26.5 1.0 MG B:MG401 4.3 20.3 1.0 CA B:GLY119 4.3 23.6 1.0 CB B:ASP75 4.4 33.4 1.0 OD2 B:ASP118 4.4 29.9 1.0 OD1 B:ASP368 4.4 36.7 1.0 OE2 B:GLU74 4.5 40.5 1.0 CB B:ASP118 4.6 26.7 1.0 OD2 B:ASP75 4.6 31.4 1.0 CG B:GLU74 4.8 32.7 1.0

S.Lee, S.Han. Crystal Structure of OSPP2C50 S265L/I267V:Ospyl/RCAR3 with (+)-Aba To Be Published.