Magnesium in PDB 6s0j: Structure of Zika Virus NS3 Helicase in Complex with Adp-MGF3(H2O)-

The structure of Structure of Zika Virus NS3 Helicase in Complex with Adp-MGF3(H2O)-, PDB code: 6s0j was solved by M.Ge, R.W.Molt Jr., H.T.Jenkins, G.M.Blackburn, Y.Jin, A.A.Antson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.65 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.943, 69.604, 57.751, 90.00, 94.40, 90.00
R / Rfree (%)	14.5 / 18.9

The structure of Structure of Zika Virus NS3 Helicase in Complex with Adp-MGF3(H2O)- also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Structure of Zika Virus NS3 Helicase in Complex with Adp-MGF3(H2O)- (pdb code 6s0j). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Zika Virus NS3 Helicase in Complex with Adp-MGF3(H2O)-, PDB code: 6s0j:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Zika Virus NS3 Helicase in Complex with Adp-MGF3(H2O)-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Zika Virus NS3 Helicase in Complex with Adp-MGF3(H2O)- within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:25.2 occ:1.00 MG1 A:KQB701 0.0 25.2 1.0 F3 A:KQB701 1.9 26.2 1.0 F1 A:KQB701 1.9 26.0 1.0 F2 A:KQB701 1.9 25.7 1.0 O A:HOH857 2.0 23.4 1.0 O1 A:KQB701 2.0 26.6 1.0 O3B A:ADP703 2.1 22.7 1.0 PB A:ADP703 3.4 22.8 1.0 MG A:MG702 3.5 22.1 1.0 O1B A:ADP703 3.8 23.3 1.0 OE2 A:GLU286 3.8 32.5 1.0 O A:HOH832 3.8 25.3 1.0 O A:HOH871 3.8 27.9 1.0 NH2 A:ARG459 4.0 22.6 1.0 NH2 A:ARG462 4.0 24.2 1.0 NH1 A:ARG462 4.1 22.2 1.0 N A:GLY197 4.1 23.2 1.0 N A:GLY415 4.1 28.4 0.5 NZ A:LYS200 4.2 23.3 1.0 O A:HOH817 4.2 23.7 1.0 O2B A:ADP703 4.2 23.5 1.0 OE1 A:GLN455 4.3 21.0 1.0 CA A:PRO196 4.3 21.7 1.0 NH1 A:ARG459 4.3 23.0 1.0 O3A A:ADP703 4.5 24.8 1.0 CA A:GLY415 4.5 30.5 0.5 O A:HOH967 4.5 27.6 1.0 CZ A:ARG462 4.5 23.2 1.0 CD A:GLU286 4.6 31.2 1.0 OE1 A:GLU286 4.6 38.6 1.0 CA A:GLY415 4.6 28.8 0.5 CZ A:ARG459 4.6 22.4 1.0 CE A:LYS200 4.7 23.3 1.0 CB A:PRO196 4.7 22.5 1.0 C A:PRO196 4.8 22.7 1.0

Magnesium binding site 2 out of 2 in the Structure of Zika Virus NS3 Helicase in Complex with Adp-MGF3(H2O)-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Zika Virus NS3 Helicase in Complex with Adp-MGF3(H2O)- within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:22.1 occ:1.00 F1 A:KQB701 1.8 26.0 1.0 O1B A:ADP703 2.1 23.3 1.0 OG1 A:THR201 2.1 24.1 1.0 O A:HOH817 2.1 23.7 1.0 O A:HOH967 2.1 27.6 1.0 O A:HOH871 2.1 27.9 1.0 CB A:THR201 3.2 24.8 1.0 PB A:ADP703 3.3 22.8 1.0 O3B A:ADP703 3.5 22.7 1.0 MG1 A:KQB701 3.5 25.2 1.0 O1 A:KQB701 3.8 26.6 1.0 OE2 A:GLU286 3.8 32.5 1.0 OD2 A:ASP285 3.9 29.7 1.0 OD1 A:ASP285 4.0 26.5 1.0 N A:THR201 4.0 23.6 1.0 O1A A:ADP703 4.1 28.6 1.0 O A:HOH821 4.1 35.5 1.0 CA A:THR201 4.2 25.4 1.0 CG2 A:THR201 4.2 26.4 1.0 O3A A:ADP703 4.3 24.8 1.0 F2 A:KQB701 4.3 25.7 1.0 CD A:GLU286 4.3 31.2 1.0 CG A:ASP285 4.3 25.9 1.0 O2B A:ADP703 4.4 23.5 1.0 O A:HOH857 4.4 23.4 1.0 CA A:GLY415 4.4 30.5 0.5 PA A:ADP703 4.6 26.5 1.0 CA A:GLY415 4.7 28.8 0.5 CB A:LYS200 4.7 23.2 1.0 OE1 A:GLU286 4.7 38.6 1.0 O2A A:ADP703 4.8 27.2 1.0 CE A:LYS200 4.8 23.3 1.0 CG A:GLU286 5.0 29.0 1.0 C A:LYS200 5.0 23.7 1.0

M.Ge, R.W.Molt Jr., H.T.Jenkins, G.M.Blackburn, Y.Jin, A.A.Antson. New Mfx Transition State Analog Reveals the Molecular Mechanism of Atp Hydrolysis By the Zika Virus NS3 Helicase To Be Published.