Chlorine in PDB 2y4k: Mannosylglycerate Synthase in Complex with Mg-Gdp

All present enzymatic activity of Mannosylglycerate Synthase in Complex with Mg-Gdp:
2.4.1.217;

The structure of Mannosylglycerate Synthase in Complex with Mg-Gdp, PDB code: 2y4k was solved by M.M.Nielsen, M.D.L.Suits, M.Yang, C.S.Barry, C.Martinez-Fleites, L.E.Tailford, J.E.Flint, B.G.Davis, G.J.Davies, H.J.Gilbert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.76 / 2.45
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	149.646, 149.646, 154.112, 90.00, 90.00, 120.00
R / Rfree (%)	20.087 / 22.479

The structure of Mannosylglycerate Synthase in Complex with Mg-Gdp also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Mannosylglycerate Synthase in Complex with Mg-Gdp (pdb code 2y4k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Mannosylglycerate Synthase in Complex with Mg-Gdp, PDB code: 2y4k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Mannosylglycerate Synthase in Complex with Mg-Gdp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mannosylglycerate Synthase in Complex with Mg-Gdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:55.3 occ:1.00 OG1 A:THR139 3.1 28.5 1.0 N A:THR139 3.3 28.3 1.0 CA A:ALA136 3.4 35.5 1.0 NH2 A:ARG131 3.7 58.1 1.0 CB A:THR139 3.7 29.1 1.0 C A:ALA136 3.8 34.1 1.0 CB A:ILE138 3.9 29.1 1.0 CD1 A:LEU163 3.9 26.3 1.0 N A:ILE138 4.0 29.1 1.0 CA A:THR139 4.1 28.4 1.0 CB A:ALA136 4.1 36.0 1.0 C A:ILE138 4.2 28.8 1.0 CA A:ILE138 4.2 28.9 1.0 O A:ALA136 4.2 34.1 1.0 N A:MET137 4.4 31.8 1.0 N A:ALA136 4.4 38.1 1.0 NH1 A:ARG131 4.4 61.6 1.0 CZ A:ARG131 4.5 62.0 1.0 CG1 A:ILE138 4.6 28.2 1.0 CG2 A:ILE138 4.8 26.1 1.0 CD1 A:ILE138 4.9 27.4 1.0

Chlorine binding site 2 out of 2 in the Mannosylglycerate Synthase in Complex with Mg-Gdp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mannosylglycerate Synthase in Complex with Mg-Gdp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:54.1 occ:1.00 OG1 B:THR139 3.0 26.3 1.0 N B:THR139 3.3 26.2 1.0 CA B:ALA136 3.3 30.2 1.0 C B:ALA136 3.8 29.5 1.0 CB B:ILE138 3.8 28.0 1.0 CB B:THR139 3.9 27.4 1.0 CD1 B:LEU163 4.0 25.4 1.0 N B:ILE138 4.0 27.9 1.0 CB B:ALA136 4.1 30.1 1.0 CA B:THR139 4.1 26.4 1.0 CA B:ILE138 4.2 27.1 1.0 C B:ILE138 4.2 26.5 1.0 N B:ALA136 4.3 32.6 1.0 O B:ALA136 4.3 29.3 1.0 N B:MET137 4.3 28.2 1.0 CG1 B:ILE138 4.7 25.6 1.0 CG2 B:ILE138 4.8 26.3 1.0 CD1 B:ILE138 4.9 26.6 1.0

M.M.Nielsen, M.D.L.Suits, M.Yang, C.S.Barry, C.Martinez-Fleites, L.E.Tailford, J.E.Flint, C.Dumon, B.G.Davis, H.J.Gilbert, G.J.Davies. Substrate and Metal Ion Promiscuity in Mannosylglycerate Synthase. J.Biol.Chem. V. 286 15155 2011.
ISSN: ISSN 0021-9258
PubMed: 21288903
DOI: 10.1074/JBC.M110.199844