Atomistry » Silicon » PDB 1fuq-6y7o » 3qo9
Atomistry »
  Silicon »
    PDB 1fuq-6y7o »
      3qo9 »

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

Enzymatic activity of 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;

Protein crystallography data

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

Silicon Binding Sites:

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 3qo9

Go back to Silicon Binding Sites List in 3qo9
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 3qo9

Go back to Silicon Binding Sites List in 3qo9
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

Reference:

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
Page generated: Wed Dec 16 02:09:31 2020

Last articles

Tb in 6TVY
Si in 6Y7O
Rh in 6WRM
Rh in 6WRL
Ni in 6Y8Z
Ni in 6Y8Y
Na in 6ZXZ
Na in 7ACG
Na in 6YLS
Na in 6Y8Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy