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

Enzymatic activity of 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;

Protein crystallography data

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

Magnesium Binding Sites:

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 3q3x

Go back to Magnesium Binding Sites List in 3q3x
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 3q3x

Go back to Magnesium Binding Sites List in 3q3x
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

Reference:

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
Page generated: Thu Aug 15 09:53:51 2024

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