Manganese in PDB 3l6c: X-Ray Crystal Structure of Rat Serine Racemase in Complex with Malonate A Potent Inhibitor

All present enzymatic activity of X-Ray Crystal Structure of Rat Serine Racemase in Complex with Malonate A Potent Inhibitor:
5.1.1.18;

The structure of X-Ray Crystal Structure of Rat Serine Racemase in Complex with Malonate A Potent Inhibitor, PDB code: 3l6c was solved by M.A.Smith, V.Mack, A.Ebneth, I.Moraes, B.Felicetti, M.Wood, D.Schonfeld, O.Mather, A.Cesura, J.Barker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.89 / 2.20
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	110.593, 110.593, 47.917, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 26.7

The binding sites of Manganese atom in the X-Ray Crystal Structure of Rat Serine Racemase in Complex with Malonate A Potent Inhibitor (pdb code 3l6c). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Crystal Structure of Rat Serine Racemase in Complex with Malonate A Potent Inhibitor, PDB code: 3l6c:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the X-Ray Crystal Structure of Rat Serine Racemase in Complex with Malonate A Potent Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Crystal Structure of Rat Serine Racemase in Complex with Malonate A Potent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn340 b:45.2 occ:0.70 OE2 A:GLU210 1.9 38.7 1.0 O A:ALA214 1.9 40.0 1.0 OD1 A:ASP216 2.0 41.9 1.0 O A:HOH389 2.5 26.8 1.0 O A:HOH388 2.6 27.5 1.0 CD A:GLU210 3.0 34.2 1.0 C A:ALA214 3.2 37.3 1.0 CG A:ASP216 3.2 36.2 1.0 CG A:GLU210 3.3 31.0 1.0 N A:ASP216 3.6 34.7 1.0 N A:CYS217 4.0 32.2 1.0 OD2 A:ASP216 4.0 42.0 1.0 N A:ASP215 4.0 37.6 1.0 CB A:ALA214 4.1 35.6 1.0 OE1 A:GLU210 4.1 33.8 1.0 CA A:ALA214 4.2 37.1 1.0 O A:VAL184 4.2 22.1 1.0 CA A:ASP215 4.2 37.0 1.0 CB A:ASP216 4.3 35.3 1.0 C A:ASP215 4.3 36.3 1.0 CA A:ASP216 4.3 33.6 1.0 O A:SER242 4.4 35.4 1.0 O A:GLY185 4.4 22.8 1.0 OD1 A:ASN229 4.5 50.1 1.0 O A:VAL240 4.5 32.7 1.0 CB A:CYS217 4.6 30.7 1.0 C A:ASP216 4.7 33.1 1.0 CB A:GLU210 4.7 29.7 1.0 CA A:CYS217 4.9 31.3 1.0 CA A:GLY185 4.9 22.5 1.0

Manganese binding site 2 out of 2 in the X-Ray Crystal Structure of Rat Serine Racemase in Complex with Malonate A Potent Inhibitor


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Crystal Structure of Rat Serine Racemase in Complex with Malonate A Potent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn340 b:60.2 occ:0.70 OD1 B:ASP216 1.9 51.8 1.0 OE2 B:GLU210 2.3 47.4 1.0 O B:ALA214 2.5 42.9 1.0 CG B:ASP216 3.1 46.8 1.0 CD B:GLU210 3.3 47.1 1.0 C B:ALA214 3.6 42.9 1.0 CG B:GLU210 3.7 46.7 1.0 OD2 B:ASP216 3.7 48.1 1.0 O B:SER242 3.7 44.2 1.0 N B:ASP216 3.9 46.0 1.0 O B:VAL240 4.0 37.5 1.0 ND2 B:ASN229 4.1 45.6 1.0 O B:GLY185 4.2 44.3 1.0 N B:CYS217 4.2 47.9 1.0 CB B:ASP216 4.2 46.6 1.0 O B:VAL184 4.2 42.9 1.0 CB B:ALA214 4.2 42.0 1.0 OE1 B:GLU210 4.4 48.1 1.0 CA B:ASP216 4.5 46.3 1.0 N B:ASP215 4.5 44.0 1.0 CA B:ALA214 4.5 42.8 1.0 CA B:ASP215 4.7 45.1 1.0 C B:ASP215 4.7 45.7 1.0 OD1 B:ASN229 4.7 43.7 1.0 CA B:GLY185 4.8 43.2 1.0 C B:ASP216 4.8 46.9 1.0 C B:SER242 4.8 43.2 1.0 CG B:ASN229 4.9 46.2 1.0 C B:GLY185 4.9 43.7 1.0 CB B:CYS217 4.9 48.5 1.0 CA B:SER243 5.0 44.7 1.0

M.A.Smith, V.Mack, A.Ebneth, I.Moraes, B.Felicetti, M.Wood, D.Schonfeld, O.Mather, A.Cesura, J.Barker. The Structure of Mammalian Serine Racemase: Evidence For Conformational Changes Upon Inhibitor Binding. J.Biol.Chem. V. 285 12873 2010.
ISSN: ISSN 0021-9258
PubMed: 20106978
DOI: 10.1074/JBC.M109.050062