Potassium in PDB 3e3s: Structure of Thaumatin with the Magic Triangle I3C

The structure of Structure of Thaumatin with the Magic Triangle I3C, PDB code: 3e3s was solved by T.Beck, T.Gruene, G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.70 / 1.73
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.707, 57.707, 149.582, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 21

The structure of Structure of Thaumatin with the Magic Triangle I3C also contains other interesting chemical elements:

Iodine

(I)

15 atoms

The binding sites of Potassium atom in the Structure of Thaumatin with the Magic Triangle I3C (pdb code 3e3s). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Structure of Thaumatin with the Magic Triangle I3C, PDB code: 3e3s:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Structure of Thaumatin with the Magic Triangle I3C


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of Thaumatin with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ A:K1007 b:32.0 occ:1.00 O A:HOH1251 2.6 23.9 1.0 O A:HOH1244 2.6 22.8 1.0 O A:ARG171 2.9 9.5 1.0 CB A:ARG171 3.6 12.0 1.0 C A:ARG171 3.7 11.0 1.0 CA A:ARG171 3.7 6.5 1.0 N A:ARG175 3.7 6.8 1.0 CB A:ARG175 3.9 9.4 1.0 CA A:ARG175 4.0 5.9 1.0 CB A:LYS174 4.0 6.5 1.0 CG A:ARG171 4.0 13.4 1.0 C A:LYS174 4.3 5.0 1.0 CG A:LYS174 4.5 9.5 1.0 O A:HOH1033 4.5 16.2 1.0 CD A:ARG171 4.6 15.8 1.0 O A:HOH1160 4.6 19.8 1.0 CA A:LYS174 4.7 8.4 1.0 CG A:ARG175 4.8 10.8 1.0 O A:LYS174 4.9 8.7 1.0 N A:PHE172 4.9 8.5 1.0 O A:HOH1221 5.0 26.4 1.0

Potassium binding site 2 out of 4 in the Structure of Thaumatin with the Magic Triangle I3C


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of Thaumatin with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ A:K1008 b:35.2 occ:1.00 O A:HOH1243 2.3 24.9 1.0 OD2 A:ASP113 2.9 12.6 1.0 C A:GLY123 3.6 12.7 1.0 OG A:SER115 3.6 9.6 1.0 O A:HOH1263 3.7 52.6 1.0 O A:GLY123 3.7 13.5 1.0 N A:VAL124 3.8 10.7 1.0 CA A:GLY123 3.9 14.6 1.0 CG A:ASP113 3.9 10.0 1.0 C A:VAL124 4.0 10.4 1.0 O A:VAL124 4.0 8.9 1.0 CB A:ARG125 4.1 15.0 1.0 CA A:VAL124 4.1 11.3 1.0 OD1 A:ASP113 4.2 10.2 1.0 NE A:ARG125 4.2 14.8 1.0 NH2 A:ARG125 4.5 22.5 1.0 N A:GLY123 4.5 9.9 1.0 N A:ARG125 4.5 6.3 1.0 O A:HOH1122 4.5 21.9 1.0 CZ A:ARG125 4.7 19.3 1.0 CA A:ARG125 4.9 9.2 1.0

Potassium binding site 3 out of 4 in the Structure of Thaumatin with the Magic Triangle I3C


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of Thaumatin with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ A:K1009 b:58.2 occ:1.00 O A:HOH1148 3.7 33.6 1.0 CA A:GLY120 4.1 22.1 1.0 CB A:ARG119 4.2 37.2 1.0 N A:GLY120 4.3 17.3 1.0 C A:ARG119 4.9 19.6 1.0

Potassium binding site 4 out of 4 in the Structure of Thaumatin with the Magic Triangle I3C


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of Thaumatin with the Magic Triangle I3C within 5.0Å range: probe atom residue distance (Å) B Occ A:K1010 b:56.6 occ:1.00 O A:HOH1052 3.4 17.4 1.0 O A:HOH1241 3.7 37.1 1.0 CE2 A:PHE181 3.7 13.7 1.0 O A:HOH1163 3.7 52.1 1.0 CZ A:PHE181 3.8 16.7 1.0 CG A:PRO188 3.9 27.5 1.0 O A:HOH1205 4.2 30.1 1.0 CB A:PRO188 4.4 15.0 1.0 CD2 A:PHE181 4.9 9.1 1.0

T.Beck, A.Krasauskas, T.Gruene, G.M.Sheldrick. A Magic Triangle For Experimental Phasing of Macromolecules Acta Crystallogr.,Sect.D V. 64 1179 2008.
ISSN: ISSN 0907-4449
PubMed: 19020357
DOI: 10.1107/S0907444908030266