Magnesium in PDB 6hgv: Soluble Epoxide Hydrolase in Complex with Talinolol

All present enzymatic activity of Soluble Epoxide Hydrolase in Complex with Talinolol:
3.1.3.76; 3.3.2.10;

The structure of Soluble Epoxide Hydrolase in Complex with Talinolol, PDB code: 6hgv was solved by J.S.Kramer, D.Pogoryelov, K.Hiesinger, E.Proschak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.94 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.730, 91.880, 106.050, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.4

The binding sites of Magnesium atom in the Soluble Epoxide Hydrolase in Complex with Talinolol (pdb code 6hgv). 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 Soluble Epoxide Hydrolase in Complex with Talinolol, PDB code: 6hgv:

Magnesium binding site 1 out of 1 in the Soluble Epoxide Hydrolase in Complex with Talinolol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Soluble Epoxide Hydrolase in Complex with Talinolol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:76.0 occ:1.00 OD2 A:ASP509 2.1 85.3 1.0 OD1 A:ASP509 2.3 72.2 1.0 CG A:ASP509 2.5 67.1 1.0 CD2 A:HIS506 3.0 80.7 1.0 NE2 A:HIS506 3.7 83.8 1.0 CG A:HIS506 3.7 74.7 1.0 CB A:ASP509 4.0 50.7 1.0 CB A:HIS506 4.2 63.2 1.0 CE1 A:HIS506 4.5 83.9 1.0 ND1 A:HIS506 4.6 79.1 1.0 CA A:HIS506 4.8 56.4 1.0 N A:ASP509 4.8 48.4 1.0 CA A:ASP509 4.8 48.7 1.0

K.Hiesinger, J.S.Kramer, J.Achenbach, D.Moser, J.Weber, S.K.Wittmann, C.Morisseau, C.Angioni, G.Geisslinger, A.S.Kahnt, A.Kaiser, A.Proschak, D.Steinhilber, D.Pogoryelov, K.Wagner, B.D.Hammock, E.Proschak. Computer-Aided Selective Optimization of Side Activities of Talinolol. Acs Med.Chem.Lett. V. 10 899 2019.
ISSN: ISSN 1948-5875
PubMed: 31223445
DOI: 10.1021/ACSMEDCHEMLETT.9B00075