Atomistry » Magnesium » PDB 6q5a-6qin » 6qbv
Atomistry »
  Magnesium »
    PDB 6q5a-6qin »
      6qbv »

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

Protein crystallography data

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

Magnesium Binding Sites:

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 6qbv

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

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

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

Go back to Magnesium Binding Sites List in 6qbv
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

Reference:

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.
Page generated: Tue Oct 1 15:26:00 2024

Last articles

Mg in 8CF1
Mg in 8CGA
Mg in 8CAZ
Mg in 8CA7
Mg in 8CCO
Mg in 8CE5
Mg in 8CCN
Mg in 8CE2
Mg in 8CDQ
Mg in 8CCM
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy