Silicon in PDB 3qo9: Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Tsao-T, A Non-Nucleoside Rt Inhibitor (Nnrti)

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Tsao-T, A Non-Nucleoside Rt Inhibitor (Nnrti):
2.7.7.49; 2.7.7.7; 3.1.26.13; 3.1.26.4;

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Tsao-T, A Non-Nucleoside Rt Inhibitor (Nnrti), PDB code: 3qo9 was solved by K.Das, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.27 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.760, 72.590, 108.970, 90.00, 98.75, 90.00
R / Rfree (%)	24.4 / 28.6

The binding sites of Silicon atom in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Tsao-T, A Non-Nucleoside Rt Inhibitor (Nnrti) (pdb code 3qo9). This binding sites where shown within 5.0 Angstroms radius around Silicon atom.
In total 2 binding sites of Silicon where determined in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Tsao-T, A Non-Nucleoside Rt Inhibitor (Nnrti), PDB code: 3qo9:
Jump to Silicon binding site number: 1; 2;

Silicon binding site 1 out of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Tsao-T, A Non-Nucleoside Rt Inhibitor (Nnrti)


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si binding site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Tsao-T, A Non-Nucleoside Rt Inhibitor (Nnrti) within 5.0Å range: probe atom residue distance (Å) B Occ A:Si556 b:84.2 occ:1.00 SI1 A:QO9556 0.0 84.2 1.0 O5 A:QO9556 1.7 79.5 1.0 C15 A:QO9556 1.9 72.9 1.0 C14 A:QO9556 1.9 69.7 1.0 C13 A:QO9556 1.9 78.7 1.0 C9 A:QO9556 2.6 74.9 1.0 C17 A:QO9556 2.8 79.6 1.0 C16 A:QO9556 2.8 72.0 1.0 C18 A:QO9556 2.8 78.1 1.0 C8 A:QO9556 3.7 72.0 1.0 C6 A:QO9556 3.8 74.6 1.0 C11 A:QO9556 4.0 71.4 1.0 N2 A:QO9556 4.2 75.5 1.0 O4 A:QO9556 4.2 73.7 1.0 N3 A:QO9556 4.4 72.0 1.0 C3 A:QO9556 4.6 71.2 1.0 C12 A:QO9556 4.7 72.6 1.0 O8 A:QO9556 4.7 77.6 1.0 OH A:TYR318 4.8 62.1 1.0 C4 A:QO9556 4.8 69.9 1.0 S1 A:QO9556 4.8 82.1 1.0 CZ A:TYR318 4.8 64.9 1.0 C7 A:QO9556 4.9 71.5 1.0 O3 A:QO9556 4.9 69.9 1.0 O2 A:QO9556 5.0 73.9 1.0

Silicon binding site 2 out of 2 in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Tsao-T, A Non-Nucleoside Rt Inhibitor (Nnrti)


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si binding site number 2 of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Tsao-T, A Non-Nucleoside Rt Inhibitor (Nnrti) within 5.0Å range: probe atom residue distance (Å) B Occ A:Si556 b:74.9 occ:1.00 SI2 A:QO9556 0.0 74.9 1.0 O6 A:QO9556 1.7 72.4 1.0 C21 A:QO9556 1.9 75.1 1.0 C20 A:QO9556 1.9 65.1 1.0 C19 A:QO9556 1.9 71.9 1.0 C10 A:QO9556 2.6 67.7 1.0 C22 A:QO9556 2.8 67.3 1.0 C23 A:QO9556 2.8 67.2 1.0 C24 A:QO9556 2.8 69.8 1.0 C3 A:QO9556 3.8 71.2 1.0 C7 A:QO9556 3.9 71.5 1.0 O3 A:QO9556 4.0 69.9 1.0 C5 A:QO9556 4.3 50.4 1.0 C2 A:QO9556 4.5 62.6 1.0 N2 A:QO9556 4.7 75.5 1.0 C6 A:QO9556 4.7 74.6 1.0 C9 A:QO9556 4.8 74.9 1.0 N3 A:QO9556 4.9 72.0 1.0 CE2 A:TRP229 4.9 72.4 1.0 C8 A:QO9556 5.0 72.0 1.0

K.Das, J.D.Bauman, A.S.Rim, C.Dharia, A.D.Clark, M.J.Camarasa, J.Balzarini, E.Arnold. Crystal Structure of Tert-Butyldimethylsilyl-Spiroaminooxathioledioxide-Thymine (Tsao-T) in Complex with Hiv-1 Reverse Transcriptase (Rt) Redefines the Elastic Limits of the Non-Nucleoside Inhibitor-Binding Pocket. J.Med.Chem. V. 54 2727 2011.
ISSN: ISSN 0022-2623
PubMed: 21446702
DOI: 10.1021/JM101536X