Magnesium in PDB 6c62: An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme.

All present enzymatic activity of An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme.:
3.5.1.84;

The structure of An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme., PDB code: 6c62 was solved by T.S.Peat, L.Esquirol, M.Wilding, J.W.Liu, N.G.French, C.J.Hartley, O.Hideki, C.J.Easton, J.Newman, C.Scott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.30 / 1.95
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	79.489, 89.040, 141.672, 90.00, 101.89, 90.00
R / Rfree (%)	15.3 / 19.1

The binding sites of Magnesium atom in the An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme. (pdb code 6c62). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme., PDB code: 6c62:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:32.8 occ:1.00 O B:HOH862 2.0 25.1 1.0 O B:HOH735 2.2 29.1 1.0 O B:HOH753 2.2 20.6 1.0 O B:HOH812 4.0 28.0 1.0 O B:GLY13 4.3 17.6 1.0 CA B:GLY13 4.5 16.9 1.0 NH1 B:ARG57 4.6 15.7 1.0 O B:SER12 4.6 14.9 1.0 C B:GLY13 4.7 17.4 1.0

Magnesium binding site 2 out of 3 in the An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme. within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg101 b:46.8 occ:1.00 O D:HOH246 2.0 33.6 1.0 O D:HOH203 2.6 29.7 1.0 O D:HOH243 2.9 22.4 1.0 O D:HOH261 2.9 37.3 1.0 CB D:ALA30 3.5 12.3 1.0 CD2 D:PHE7 3.6 20.8 1.0 O D:HOH206 3.9 25.2 1.0 CB D:PHE7 3.9 15.7 1.0 CA D:PHE7 4.2 14.3 1.0 CG D:PHE7 4.2 19.1 1.0 N D:PHE7 4.6 13.6 1.0 OE2 D:GLU3 4.6 36.8 1.0 CE2 D:PHE7 4.6 21.3 1.0 CA D:ARG27 4.6 16.3 1.0 O D:GLU3 4.7 20.8 1.0 CG D:GLU3 4.7 31.1 1.0 O D:ALA26 4.9 12.6 1.0 CA D:ALA30 5.0 11.8 1.0

Magnesium binding site 3 out of 3 in the An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of An S-Triazine Catabolic Enzyme. within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg102 b:40.5 occ:1.00 O D:HOH215 2.0 26.4 1.0 O D:HOH263 2.0 26.1 1.0 O D:HOH227 2.1 25.6 1.0 O D:HOH265 2.5 32.9 1.0 O D:HOH204 4.3 22.4 1.0 O D:HOH245 4.3 12.2 1.0 OE2 D:GLU22 4.4 44.6 1.0 O D:PRO20 4.5 17.0 1.0 CG D:GLU22 4.5 27.9 1.0 O D:HOH220 4.9 28.6 1.0 CD D:GLU22 5.0 35.0 1.0

L.Esquirol, T.S.Peat, M.Wilding, J.W.Liu, N.G.French, C.J.Hartley, H.Onagi, T.Nebl, C.J.Easton, J.Newman, C.Scott. An Unexpected Vestigial Protein Complex Reveals the Evolutionary Origins of Ans-Triazine Catabolic Enzyme. J. Biol. Chem. V. 293 7880 2018.
ISSN: ESSN 1083-351X
PubMed: 29523689
DOI: 10.1074/JBC.RA118.001996