Magnesium in PDB 3q3x: Crystal Structure of the Main Protease (3C) From Human Enterovirus B EV93

All present enzymatic activity of Crystal Structure of the Main Protease (3C) From Human Enterovirus B EV93:
3.4.22.28;

The structure of Crystal Structure of the Main Protease (3C) From Human Enterovirus B EV93, PDB code: 3q3x was solved by L.Costenaro, M.Sola, B.Coutard, H.Norder, B.Canard, M.Coll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.52 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.072, 65.216, 66.355, 90.00, 90.67, 90.00
R / Rfree (%)	14.8 / 21

The binding sites of Magnesium atom in the Crystal Structure of the Main Protease (3C) From Human Enterovirus B EV93 (pdb code 3q3x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Main Protease (3C) From Human Enterovirus B EV93, PDB code: 3q3x:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Main Protease (3C) From Human Enterovirus B EV93


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Main Protease (3C) From Human Enterovirus B EV93 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg190 b:20.8 occ:1.00 O B:HOH265 2.0 21.2 1.0 O B:HOH256 2.1 16.5 1.0 O B:HOH258 2.1 15.4 1.0 O B:HOH242 2.1 19.6 1.0 O B:HOH241 2.2 14.2 1.0 O B:HOH243 2.2 16.4 1.0 O B:GLU94 3.8 9.2 1.0 OE2 B:GLU93 4.4 26.5 1.0 OD2 B:ASP121 4.5 12.4 1.0 CD B:GLU93 4.6 19.6 1.0 O B:HOH244 4.7 39.2 1.0 OE1 B:GLU93 4.8 24.5 1.0 CG B:GLU96 5.0 10.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Main Protease (3C) From Human Enterovirus B EV93


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Main Protease (3C) From Human Enterovirus B EV93 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg191 b:39.3 occ:1.00 O B:HOH199 2.1 27.2 1.0 O B:HOH344 2.1 32.5 1.0 OE2 B:GLU99 2.2 21.3 1.0 O B:HOH323 2.2 27.4 1.0 O B:HOH207 2.4 33.7 1.0 O B:HOH205 2.4 25.0 1.0 CD B:GLU99 3.2 18.8 1.0 OE1 B:GLU99 3.6 18.1 1.0 O B:HOH270 3.9 38.3 1.0 O B:HOH213 4.0 48.2 1.0 SD B:MET-1 4.3 38.8 1.0 O B:ASN98 4.4 11.5 1.0 CG B:GLU99 4.6 15.1 1.0 CE B:MET-1 4.6 38.5 1.0 CA B:GLY117 4.7 10.6 1.0

L.Costenaro, Z.Kaczmarska, C.Arnan, R.Janowski, B.Coutard, M.Sola, A.E.Gorbalenya, H.Norder, B.Canard, M.Coll. Structural Basis For Antiviral Inhibition of the Main Protease, 3C, From Human Enterovirus 93. J.Virol. V. 85 10764 2011.
ISSN: ISSN 0022-538X
PubMed: 21835784
DOI: 10.1128/JVI.05062-11