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Magnesium in PDB 4i7f: Hiv-1 Reverse Transcriptase in Complex with A Phosphonate Analog of Nevirapine

Enzymatic activity of Hiv-1 Reverse Transcriptase in Complex with A Phosphonate Analog of Nevirapine

All present enzymatic activity of Hiv-1 Reverse Transcriptase in Complex with A Phosphonate Analog of Nevirapine:
2.7.7.49;

Protein crystallography data

The structure of Hiv-1 Reverse Transcriptase in Complex with A Phosphonate Analog of Nevirapine, PDB code: 4i7f was solved by E.B.Lansdon, J.Parrish, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.50
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 118.319, 154.703, 154.250, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 4i7f:

The structure of Hiv-1 Reverse Transcriptase in Complex with A Phosphonate Analog of Nevirapine also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Hiv-1 Reverse Transcriptase in Complex with A Phosphonate Analog of Nevirapine (pdb code 4i7f). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Hiv-1 Reverse Transcriptase in Complex with A Phosphonate Analog of Nevirapine, PDB code: 4i7f:

Magnesium binding site 1 out of 1 in 4i7f

Go back to Magnesium Binding Sites List in 4i7f
Magnesium binding site 1 out of 1 in the Hiv-1 Reverse Transcriptase in Complex with A Phosphonate Analog of Nevirapine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Hiv-1 Reverse Transcriptase in Complex with A Phosphonate Analog of Nevirapine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg606

b:77.4
occ:1.00
OD2 A:ASP186 3.9 62.4 1.0
SD A:MET184 4.5 64.9 1.0
O1 A:SO4605 4.5 0.6 1.0
CE2 A:TYR183 4.6 51.3 1.0
O4 A:SO4605 4.6 0.3 1.0
OD1 A:ASP185 4.7 66.5 1.0
CB A:MET184 4.9 55.4 1.0
CG A:MET184 5.0 59.3 1.0

Reference:

J.Parrish, L.Tong, M.Wang, X.Chen, E.B.Lansdon, C.Cannizzaro, X.Zheng, M.C.Desai, L.Xu. Synthesis and Biological Evaluation of Phosphonate Analogues of Nevirapine. Bioorg.Med.Chem.Lett. V. 23 1493 2013.
ISSN: ISSN 0960-894X
PubMed: 23375792
DOI: 10.1016/J.BMCL.2012.12.049
Page generated: Fri Aug 16 16:36:49 2024

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