Manganese in PDB 8sut: Crystal Structure of Yisk From Bacillus Subtilis in Complex with Reaction Product 4-Hydroxy-2-Oxoglutaric Acid

The structure of Crystal Structure of Yisk From Bacillus Subtilis in Complex with Reaction Product 4-Hydroxy-2-Oxoglutaric Acid, PDB code: 8sut was solved by I.V.Krieger, V.Chemelewski, T.Guo, A.Sperber, J.Herman, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.04 / 1.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.686, 93.983, 124.981, 90, 90, 90
R / Rfree (%)	18.3 / 23

The binding sites of Manganese atom in the Crystal Structure of Yisk From Bacillus Subtilis in Complex with Reaction Product 4-Hydroxy-2-Oxoglutaric Acid (pdb code 8sut). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Yisk From Bacillus Subtilis in Complex with Reaction Product 4-Hydroxy-2-Oxoglutaric Acid, PDB code: 8sut:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Yisk From Bacillus Subtilis in Complex with Reaction Product 4-Hydroxy-2-Oxoglutaric Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Yisk From Bacillus Subtilis in Complex with Reaction Product 4-Hydroxy-2-Oxoglutaric Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:61.1 occ:1.00 OE2 A:GLU150 2.1 43.8 1.0 OE1 A:GLU148 2.2 43.5 1.0 OD2 A:ASP179 2.2 35.4 1.0 O06 A:IO9401 2.2 36.3 1.0 O04 A:IO9401 2.3 43.6 1.0 O A:HOH516 2.3 31.4 1.0 C05 A:IO9401 2.8 51.7 1.0 C02 A:IO9401 2.9 45.7 1.0 CD A:GLU150 3.1 43.5 1.0 CG A:ASP179 3.3 35.5 1.0 CD A:GLU148 3.4 43.2 1.0 OE1 A:GLU150 3.5 40.6 1.0 CB A:ASP179 3.7 32.1 1.0 NZ A:LYS196 3.8 43.2 1.0 O A:ILE97 4.0 42.0 1.0 O03 A:IO9401 4.1 44.4 1.0 OE2 A:GLU148 4.1 48.8 1.0 C04 A:IO9401 4.3 50.5 1.0 CB A:GLU148 4.4 38.0 1.0 CZ A:PHE121 4.4 45.6 1.0 OD1 A:ASP179 4.4 38.4 1.0 CG A:GLU150 4.4 31.8 1.0 N A:THR266 4.5 34.8 1.0 CG A:GLU148 4.5 38.2 1.0 CA A:GLY265 4.6 34.4 1.0 CG2 A:THR266 4.6 38.4 1.0 CB A:THR266 4.6 38.2 1.0 O05 A:IO9401 4.9 66.5 1.0 C03 A:IO9401 4.9 75.5 1.0 C A:GLY265 4.9 34.2 1.0 O A:ASP179 5.0 31.2 1.0 CE A:LYS196 5.0 45.4 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Yisk From Bacillus Subtilis in Complex with Reaction Product 4-Hydroxy-2-Oxoglutaric Acid


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Yisk From Bacillus Subtilis in Complex with Reaction Product 4-Hydroxy-2-Oxoglutaric Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:78.7 occ:1.00 O04 B:IO9402 1.8 75.7 1.0 O06 B:IO9402 1.8 67.8 1.0 O B:HOH526 2.1 37.2 1.0 OD2 B:ASP179 2.1 50.1 1.0 OE1 B:GLU148 2.3 43.6 1.0 OE2 B:GLU150 2.3 49.7 1.0 C05 B:IO9402 2.5 56.5 1.0 C02 B:IO9402 2.5 66.4 1.0 CG B:ASP179 3.2 41.9 1.0 CD B:GLU150 3.3 39.1 1.0 CD B:GLU148 3.5 59.1 1.0 NZ B:LYS196 3.6 50.6 1.0 OE1 B:GLU150 3.7 42.4 1.0 CB B:ASP179 3.7 40.7 1.0 O03 B:IO9402 3.7 44.8 1.0 O B:ILE97 4.0 42.4 1.0 C04 B:IO9402 4.0 61.4 1.0 OE2 B:GLU148 4.1 56.5 1.0 CZ B:PHE121 4.2 51.6 1.0 OD1 B:ASP179 4.3 38.1 1.0 CB B:GLU148 4.5 42.8 1.0 O05 B:IO9402 4.6 77.7 1.0 CG B:GLU148 4.6 49.8 1.0 CG B:GLU150 4.6 34.3 1.0 N B:THR266 4.7 38.6 1.0 C03 B:IO9402 4.7 90.7 1.0 CA B:GLY265 4.7 37.5 1.0 CG2 B:THR266 4.8 49.7 1.0 CE B:LYS196 4.8 48.8 1.0 CB B:THR266 4.9 41.7 1.0 CE1 B:PHE121 4.9 46.3 1.0 O B:ASP179 5.0 47.6 1.0 C B:ILE97 5.0 39.9 1.0

T.Guo, J.Herman. Bacillus Subtilis Yisk Possesses Oxaloacetate Decarboxylase Activity and Exhibits Mbl-Dependent Localization To Be Published.