Magnesium in PDB 5vxc: Crystal Structure Analysis of Human Clybl in Complex with Free Coash

The structure of Crystal Structure Analysis of Human Clybl in Complex with Free Coash, PDB code: 5vxc was solved by H.Shen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.85 / 1.87
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	76.515, 76.515, 139.428, 90.00, 90.00, 120.00
R / Rfree (%)	18.1 / 22

The binding sites of Magnesium atom in the Crystal Structure Analysis of Human Clybl in Complex with Free Coash (pdb code 5vxc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure Analysis of Human Clybl in Complex with Free Coash, PDB code: 5vxc:

Magnesium binding site 1 out of 1 in the Crystal Structure Analysis of Human Clybl in Complex with Free Coash


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Analysis of Human Clybl in Complex with Free Coash within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:17.6 occ:1.00 OE2 A:GLU171 2.1 26.5 1.0 OD2 A:ASP206 2.1 24.4 1.0 O A:HOH510 2.2 24.1 1.0 O A:HOH534 2.2 22.4 1.0 O A:HOH635 2.5 24.4 1.0 CD A:GLU171 3.1 20.3 1.0 CG A:ASP206 3.2 19.3 1.0 OE1 A:GLU171 3.4 18.7 1.0 O A:HOH608 3.5 23.8 1.0 CB A:ASP206 3.7 15.0 1.0 OD2 A:ASP76 4.0 19.4 1.0 NZ A:LYS137 4.1 21.3 1.0 NH2 A:ARG107 4.2 14.4 1.0 OD1 A:ASP206 4.3 19.6 1.0 CG A:GLU171 4.4 17.4 1.0 CA A:GLY203 4.5 14.1 1.0 OE1 A:GLU75 4.6 18.7 1.0 N A:ASP206 4.8 14.6 1.0 CB A:GLU171 4.8 18.5 1.0 CA A:ASP206 4.9 15.2 1.0 S1P A:COA401 4.9 36.9 1.0

H.Shen, G.C.Campanello, D.Flicker, Z.Grabarek, J.Hu, C.Luo, R.Banerjee, V.K.Mootha. The Human Knockout Gene Clybl Connects Itaconate to Vitamin B12. Cell V. 171 771 2017.
ISSN: ISSN 1097-4172
PubMed: 29056341
DOI: 10.1016/J.CELL.2017.09.051