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

Protein crystallography data

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

Other elements in 6s0j:

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

Magnesium Binding Sites:

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 6s0j

Go back to Magnesium Binding Sites List in 6s0j
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 6s0j

Go back to Magnesium Binding Sites List in 6s0j
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

Reference:

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.
Page generated: Tue Oct 1 17:36:11 2024

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