Chlorine in PDB 2y4m: Mannosylglycerate Synthase in Complex with Gdp-Mannose

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

The structure of Mannosylglycerate Synthase in Complex with Gdp-Mannose, PDB code: 2y4m 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)	129.47 / 2.70
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	149.500, 149.500, 154.321, 90.00, 90.00, 120.00
R / Rfree (%)	19.136 / 21.878

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

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Mannosylglycerate Synthase in Complex with Gdp-Mannose (pdb code 2y4m). 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 Gdp-Mannose, PDB code: 2y4m:
Jump to Chlorine binding site number: 1; 2;

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


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 Gdp-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:54.0 occ:1.00 OG1 A:THR139 3.0 19.2 1.0 N A:THR139 3.1 21.9 1.0 O A:HOH2023 3.2 45.0 1.0 CA A:ALA136 3.3 27.8 1.0 CB A:ILE138 3.5 24.3 1.0 N A:ILE138 3.6 24.7 1.0 C A:ALA136 3.6 27.2 1.0 CB A:THR139 3.7 21.0 1.0 CA A:ILE138 3.8 23.9 1.0 CB A:ALA136 3.9 27.6 1.0 CA A:THR139 3.9 20.7 1.0 C A:ILE138 3.9 23.5 1.0 N A:MET137 4.0 25.9 1.0 O A:ALA136 4.0 27.6 1.0 CD1 A:LEU163 4.1 20.7 1.0 CG1 A:ILE138 4.3 22.6 1.0 N A:ALA136 4.3 29.5 1.0 CG2 A:ILE138 4.4 22.4 1.0 C A:MET137 4.6 25.6 1.0 NH2 A:ARG131 4.7 53.6 1.0 CD1 A:ILE138 4.7 19.4 1.0 CA A:MET137 5.0 25.7 1.0

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


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 Gdp-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:61.8 occ:1.00 N B:THR139 3.2 24.7 1.0 CA B:ALA136 3.3 31.7 1.0 OG1 B:THR139 3.3 25.2 1.0 N B:ILE138 3.5 25.6 1.0 C B:ALA136 3.5 30.5 1.0 CB B:ILE138 3.6 24.5 1.0 CB B:THR139 3.8 25.9 1.0 CA B:ILE138 3.9 24.8 1.0 N B:MET137 3.9 28.8 1.0 O B:ALA136 3.9 30.7 1.0 CB B:ALA136 4.1 31.7 1.0 C B:ILE138 4.1 24.8 1.0 CA B:THR139 4.1 25.7 1.0 N B:ALA136 4.3 33.6 1.0 CD1 B:LEU163 4.4 23.4 1.0 CG2 B:ILE138 4.5 22.2 1.0 CG1 B:ILE138 4.5 22.3 1.0 C B:MET137 4.5 26.5 1.0 CD1 B:ILE138 4.7 18.0 1.0 CA B:MET137 4.8 27.5 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