Magnesium in PDB 5zcl: Crystal Structure of OSPP2C50 I267L:Ospyl/RCAR3 with (+)-Aba

All present enzymatic activity of Crystal Structure of OSPP2C50 I267L:Ospyl/RCAR3 with (+)-Aba:
3.1.3.16;

The structure of Crystal Structure of OSPP2C50 I267L:Ospyl/RCAR3 with (+)-Aba, PDB code: 5zcl 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)	38.15 / 2.66
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.096, 130.262, 80.252, 90.00, 115.99, 90.00
R / Rfree (%)	19.5 / 24

The binding sites of Magnesium atom in the Crystal Structure of OSPP2C50 I267L:Ospyl/RCAR3 with (+)-Aba (pdb code 5zcl). 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 I267L:Ospyl/RCAR3 with (+)-Aba, PDB code: 5zcl:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of OSPP2C50 I267L: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 I267L:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:44.6 occ:1.00 OD2 A:ASP368 2.4 36.1 1.0 OD2 A:ASP118 2.5 27.1 1.0 O A:HOH502 2.6 29.6 1.0 MG A:MG402 2.6 39.8 1.0 OD1 A:ASP368 2.8 36.7 1.0 OD1 A:ASP118 2.9 32.0 1.0 CG A:ASP368 2.9 34.9 1.0 CG A:ASP118 3.0 31.2 1.0 OD1 A:ASP306 3.1 39.6 1.0 OD2 A:ASP306 3.5 51.0 1.0 CG A:ASP306 3.7 43.3 1.0 O A:HOH532 3.8 39.8 1.0 O A:HOH525 4.1 37.8 1.0 CB A:ASP368 4.4 30.3 1.0 O A:GLY119 4.5 28.2 1.0 CB A:ASP118 4.5 28.3 1.0 OD1 A:ASP75 4.5 31.9 1.0 O A:HOH508 4.7 29.7 1.0 N A:ASN369 4.9 46.8 1.0 O A:ASN369 5.0 40.2 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of OSPP2C50 I267L: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 I267L:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:39.8 occ:1.00 O A:GLY119 2.0 28.2 1.0 OD1 A:ASP118 2.2 32.0 1.0 MG A:MG401 2.6 44.6 1.0 C A:GLY119 3.2 29.1 1.0 CG A:ASP118 3.3 31.2 1.0 OD2 A:ASP118 3.8 27.1 1.0 O A:HOH508 3.8 29.7 1.0 OE1 A:GLU74 3.8 51.1 1.0 N A:GLY119 4.1 27.6 1.0 N A:HIS120 4.1 29.0 1.0 CA A:HIS120 4.2 34.7 1.0 CA A:GLY119 4.2 29.1 1.0 O A:HOH532 4.3 39.8 1.0 CB A:GLU74 4.3 40.4 1.0 C A:ASP118 4.3 29.4 1.0 OD1 A:ASP368 4.4 36.7 1.0 O A:HOH502 4.4 29.6 1.0 CB A:HIS120 4.5 24.1 1.0 OD1 A:ASP75 4.6 31.9 1.0 CB A:ASP118 4.6 28.3 1.0 OD1 A:ASN369 4.6 43.5 1.0 O A:ASP118 4.7 33.7 1.0 CA A:ASP118 4.8 28.6 1.0 O A:HOH525 4.8 37.8 1.0 OG C:SER100 4.9 33.4 1.0 CD A:GLU74 4.9 43.0 1.0 OD2 A:ASP368 5.0 36.1 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of OSPP2C50 I267L: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 I267L:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:45.5 occ:1.00 OD2 B:ASP368 2.1 49.8 1.0 OD2 B:ASP118 2.2 40.4 1.0 OD1 B:ASP306 2.3 35.8 1.0 O B:HOH501 2.6 39.1 1.0 OD2 B:ASP306 2.7 42.0 1.0 CG B:ASP306 2.8 41.8 1.0 MG B:MG402 3.1 47.6 1.0 CG B:ASP118 3.1 43.8 1.0 CG B:ASP368 3.1 40.9 1.0 OD1 B:ASP118 3.3 43.6 1.0 O B:HOH513 3.4 44.2 1.0 OD1 B:ASP368 3.5 45.9 1.0 O B:HOH514 3.7 41.8 1.0 O B:HOH508 3.8 51.5 1.0 CB B:ASP306 4.4 39.0 1.0 O B:HOH509 4.4 44.7 1.0 CB B:ASP368 4.4 39.6 1.0 O B:HOH505 4.5 54.9 1.0 CB B:ASP118 4.5 38.4 1.0 O B:HOH512 4.6 40.8 1.0 N B:GLY307 4.8 35.9 1.0 OD1 B:ASP75 4.9 35.0 1.0 N B:ASP306 5.0 48.1 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of OSPP2C50 I267L: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 I267L:Ospyl/RCAR3 with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:47.6 occ:1.00 O B:HOH505 1.9 54.9 1.0 O B:HOH508 2.0 51.5 1.0 OD1 B:ASP118 2.0 43.6 1.0 O B:HOH513 2.3 44.2 1.0 O B:GLY119 2.5 33.9 1.0 CG B:ASP118 3.1 43.8 1.0 MG B:MG401 3.1 45.5 1.0 OD2 B:ASP118 3.4 40.4 1.0 C B:GLY119 3.7 37.3 1.0 O B:HOH512 3.7 40.8 1.0 O B:HOH514 4.0 41.8 1.0 OE1 B:GLU74 4.0 40.3 1.0 O B:HOH501 4.1 39.1 1.0 OD1 B:ASP368 4.1 45.9 1.0 OD1 B:ASP75 4.3 35.0 1.0 N B:GLY119 4.3 33.2 1.0 OD2 B:ASP368 4.3 49.8 1.0 CB B:ASP118 4.4 38.4 1.0 C B:ASP118 4.4 41.3 1.0 CB B:GLU74 4.5 39.5 1.0 CA B:GLY119 4.6 41.2 1.0 N B:HIS120 4.6 37.7 1.0 CG B:ASP368 4.6 40.9 1.0 OD1 B:ASN369 4.7 46.9 1.0 CA B:ASP118 4.7 38.3 1.0 CA B:HIS120 4.7 36.3 1.0 O B:ASP118 4.9 40.4 1.0

S.Lee, S.Han. Crystal Structure of OSPP2C50 I267L:Ospyl/RCAR3 with (+)-Aba To Be Published.