Magnesium in PDB 6qbv: Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form)

The structure of Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form), PDB code: 6qbv was solved by M.S.Barski, G.N.Maertens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.61 / 2.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.315, 89.175, 65.530, 90.00, 102.49, 90.00
R / Rfree (%)	23.3 / 27.3

The binding sites of Magnesium atom in the Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form) (pdb code 6qbv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form), PDB code: 6qbv:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:89.8 occ:1.00 OD2 A:ASP122 2.3 0.4 1.0 OD1 A:ASP65 3.1 93.0 1.0 CG A:ASP122 3.4 0.1 1.0 OD1 A:ASP122 3.8 95.3 1.0 CG A:ASP65 4.0 86.9 1.0 O A:VAL66 4.3 75.9 1.0 OD2 A:ASP65 4.3 74.5 1.0 CB A:ASP122 4.7 83.7 1.0 N A:VAL66 4.8 67.3 1.0

Magnesium binding site 2 out of 4 in the Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:81.6 occ:1.00 OD2 B:ASP122 2.1 84.7 1.0 OD1 B:ASP65 2.5 82.7 1.0 CG B:ASP122 3.3 86.4 1.0 CG B:ASP65 3.5 83.8 1.0 OD2 B:ASP65 3.8 91.2 1.0 O B:VAL66 3.8 72.6 1.0 OD1 B:ASP122 3.9 82.6 1.0 N B:VAL66 4.3 61.0 1.0 CB B:ASP122 4.5 62.1 1.0 C B:VAL66 4.8 68.8 1.0 CB B:ASP65 4.8 64.2 1.0 CA B:VAL66 5.0 66.6 1.0 CB B:VAL66 5.0 65.9 1.0

Magnesium binding site 3 out of 4 in the Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form) within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:69.1 occ:1.00 OD2 C:ASP122 2.1 69.4 1.0 OD1 C:ASP65 2.5 80.4 1.0 O C:HOH416 2.5 63.3 1.0 CG C:ASP122 3.3 69.3 1.0 CG C:ASP65 3.5 82.5 1.0 OD2 C:ASP65 3.7 0.3 1.0 OD1 C:ASP122 3.8 72.1 1.0 O C:VAL66 4.0 59.0 1.0 N C:VAL66 4.4 50.9 1.0 CB C:ASP122 4.5 55.0 1.0 CB C:ASP65 4.8 67.1 1.0 O C:HOH413 4.9 62.9 1.0 CB C:VAL66 4.9 62.5 1.0 C C:VAL66 4.9 56.0 1.0

Magnesium binding site 4 out of 4 in the Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the Htlv-2 Integrase Catalytic Core Domain in Complex with Magnesium (Dimeric Form) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg301 b:84.3 occ:1.00 OD1 D:ASP65 2.6 97.7 1.0 OD2 D:ASP122 2.7 0.9 1.0 CG D:ASP65 3.4 92.8 1.0 O D:VAL66 3.6 98.2 1.0 OD2 D:ASP65 3.6 88.3 1.0 CG D:ASP122 3.8 0.1 1.0 OD1 D:ASP122 4.1 0.9 1.0 N D:VAL66 4.3 71.3 1.0 OE2 D:GLU97 4.4 98.2 1.0 C D:VAL66 4.6 82.3 1.0 CB D:VAL66 4.8 67.5 1.0 CB D:ASP65 4.8 81.8 1.0 CA D:VAL66 4.8 74.5 1.0

M.S.Barski, J.J.Minnell, G.N.Maertens. Inhibition of Htlv-1 Integration By Hiv-1 First- and Second-Generation Integrase Strand Transfer Inhibitors: A Comparative Structural and Functional Perspective To Be Published.