Magnesium in PDB 6xh0: Co-Crystal Structure of Hiv-1 Tar Rna in Complex with Lab-Evolved Rrm TBP6.9

The structure of Co-Crystal Structure of Hiv-1 Tar Rna in Complex with Lab-Evolved Rrm TBP6.9, PDB code: 6xh0 was solved by S.S.Chavali, J.L.Jenkins, J.E.Wedekind, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.97 / 3.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	40.494, 40.494, 286.401, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 28.8

The binding sites of Magnesium atom in the Co-Crystal Structure of Hiv-1 Tar Rna in Complex with Lab-Evolved Rrm TBP6.9 (pdb code 6xh0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Co-Crystal Structure of Hiv-1 Tar Rna in Complex with Lab-Evolved Rrm TBP6.9, PDB code: 6xh0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Co-Crystal Structure of Hiv-1 Tar Rna in Complex with Lab-Evolved Rrm TBP6.9


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Crystal Structure of Hiv-1 Tar Rna in Complex with Lab-Evolved Rrm TBP6.9 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg101 b:66.4 occ:1.00 H3 D:U31 3.4 92.4 1.0 O2 D:U31 3.5 75.6 1.0 N7 D:G34 3.7 79.8 1.0 C5 D:G34 3.8 79.4 1.0 OP2 D:G34 3.9 81.6 1.0 C6 D:G34 3.9 81.8 1.0 O6 D:G34 4.0 82.4 1.0 N3 D:U31 4.1 76.9 1.0 C2 D:U31 4.2 75.4 1.0 O D:HOH201 4.3 65.7 1.0 C8 D:G34 4.3 79.5 1.0 N3 D:G32 4.4 84.6 1.0 H1' D:G32 4.4 95.1 1.0 C4 D:G34 4.5 76.9 1.0 H22 D:G32 4.7 0.1 1.0 O4' D:G32 4.7 78.7 1.0 N1 D:G34 4.7 81.2 1.0 H8 D:G34 4.7 95.6 1.0 H5'' D:G33 4.8 89.9 1.0 N9 D:G34 4.8 77.1 1.0 C2 D:G32 4.9 85.3 1.0 N2 D:G32 4.9 83.3 1.0 C4 D:G32 4.9 82.5 1.0 C1' D:G32 5.0 79.1 1.0 O5' D:G34 5.0 80.0 1.0

Magnesium binding site 2 out of 2 in the Co-Crystal Structure of Hiv-1 Tar Rna in Complex with Lab-Evolved Rrm TBP6.9


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Co-Crystal Structure of Hiv-1 Tar Rna in Complex with Lab-Evolved Rrm TBP6.9 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg102 b:65.4 occ:1.00 O4 D:U42 3.8 84.3 1.0 H5 D:U42 4.1 0.7 1.0 O6 D:G43 4.2 89.0 1.0 O6 D:G18 4.4 91.4 1.0 C4 D:U42 4.6 83.3 1.0 H41 D:C41 4.6 0.2 1.0 C5 D:U42 4.7 84.2 1.0 H5 D:C41 4.7 0.9 1.0 H42 D:C44 4.7 1.0 1.0 H41 D:C44 4.9 1.0 1.0

S.S.Chavali, S.M.Mali, J.L.Jenkins, R.Fasan, J.E.Wedekind. Co-Crystal Structures of Hiv Tar Rna Bound to Lab-Evolved Proteins Show Key Roles For Arginine Relevant to the Design of Cyclic Peptide Tar Inhibitors. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33051202
DOI: 10.1074/JBC.RA120.015444