Magnesium in PDB 7xgi: Comt Sah Mg Opicapone Complex

All present enzymatic activity of Comt Sah Mg Opicapone Complex:
2.1.1.6;

The structure of Comt Sah Mg Opicapone Complex, PDB code: 7xgi was solved by K.Takebe, T.Kuwada-Kusunose, M.Suzuki, N.Uzawa, H.Iijima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	11.91 / 2.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.756, 50.756, 168.241, 90, 90, 120
R / Rfree (%)	18.4 / 21.7

The structure of Comt Sah Mg Opicapone Complex also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Comt Sah Mg Opicapone Complex (pdb code 7xgi). 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 Comt Sah Mg Opicapone Complex, PDB code: 7xgi:

Magnesium binding site 1 out of 1 in the Comt Sah Mg Opicapone Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Comt Sah Mg Opicapone Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:26.1 occ:1.00 O24 A:DNI302 2.1 27.7 1.0 OD1 A:ASN170 2.1 27.4 1.0 OD1 A:ASP141 2.1 25.3 1.0 O23 A:DNI302 2.1 25.8 1.0 O A:HOH414 2.2 21.1 1.0 OD2 A:ASP169 2.2 29.6 1.0 C20 A:DNI302 2.8 27.8 1.0 C21 A:DNI302 2.8 28.6 1.0 CG A:ASP141 3.0 28.1 1.0 CG A:ASN170 3.1 24.8 1.0 OD2 A:ASP141 3.1 25.9 1.0 CG A:ASP169 3.2 27.2 1.0 ND2 A:ASN170 3.4 27.6 1.0 CB A:ASP169 3.8 22.4 1.0 O A:HOH410 4.0 31.4 1.0 C19 A:DNI302 4.1 31.1 1.0 C22 A:DNI302 4.2 30.6 1.0 OD1 A:ASP169 4.2 26.9 1.0 O A:MET40 4.4 30.1 1.0 CB A:ASP141 4.4 23.0 1.0 CB A:ASN170 4.4 24.6 1.0 O A:ASP141 4.5 28.1 1.0 OE2 A:GLU199 4.5 31.9 1.0 O27 A:DNI302 4.5 37.5 1.0 CA A:ASP141 4.8 25.5 1.0 OE1 A:GLU199 4.8 35.2 1.0 NZ A:LYS46 4.8 29.2 1.0 N25 A:DNI302 4.8 29.1 1.0 CG A:SAH301 5.0 27.2 1.0 N A:ASN170 5.0 24.6 1.0 C A:ASP169 5.0 26.2 1.0

K.Takebe, H.Iijima, T.Kuwada-Kusunose, M.Suzuki, N.Uzawa. Crystal Structure of Comtin Complex with Opicapone,MG2+,and Sah To Be Published.