Atomistry » Fluorine » PDB 1udb-1w5y » 1w5v
Atomistry »
  Fluorine »
    PDB 1udb-1w5y »
      1w5v »

Fluorine in PDB 1w5v: Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor

Enzymatic activity of Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor

All present enzymatic activity of Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor:
3.4.23.16;

Protein crystallography data

The structure of Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor, PDB code: 1w5v was solved by J.Lindberg, D.Pyring, S.Loewgren, A.Rosenquist, G.Zuccarello, I.Kvarnstroem, H.Zhang, L.Vrang, B.Claesson, A.Hallberg, B.Samuelsson, T.Unge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.45 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 58.532, 86.121, 46.636, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 21.5

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor (pdb code 1w5v). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor, PDB code: 1w5v:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 1w5v

Go back to Fluorine Binding Sites List in 1w5v
Fluorine binding site 1 out of 2 in the Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1100

b:33.4
occ:1.00
F49 A:BE31100 0.0 33.4 1.0
C09 A:BE31100 1.5 26.7 1.0
C08 A:BE31100 2.6 25.9 1.0
C10 A:BE31100 2.6 27.5 1.0
CG A:PRO81 3.0 25.0 1.0
O B:HOH2015 3.3 40.8 1.0
O B:GLY48 3.4 15.0 1.0
O B:GLY49 3.5 16.4 1.0
C B:GLY49 3.6 16.4 1.0
O B:HOH2034 3.7 32.3 1.0
CB A:PRO81 3.7 24.0 1.0
O B:HOH2036 3.7 29.7 1.0
CA B:GLY49 3.8 16.9 1.0
C B:GLY48 3.8 16.6 1.0
C07 A:BE31100 3.9 22.5 1.0
C11 A:BE31100 3.9 26.3 1.0
N B:GLY49 4.0 17.0 1.0
N B:ILE50 4.3 18.4 1.0
CD A:PRO81 4.3 23.4 1.0
C12 A:BE31100 4.4 24.1 1.0
CA B:GLY48 4.8 16.5 1.0
CA B:ILE50 4.8 22.0 1.0
O A:HOH2008 4.9 42.5 1.0
O27 A:BE31100 4.9 17.9 1.0
CA A:PRO81 5.0 22.7 1.0

Fluorine binding site 2 out of 2 in 1w5v

Go back to Fluorine Binding Sites List in 1w5v
Fluorine binding site 2 out of 2 in the Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Hiv-1 Protease in Complex with Fluoro Substituted Diol-Based C2- Symmetric Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1100

b:33.1
occ:1.00
F50 A:BE31100 0.0 33.1 1.0
C05 A:BE31100 1.5 25.9 1.0
C06 A:BE31100 2.5 25.0 1.0
C04 A:BE31100 2.5 27.0 1.0
O A:HOH2030 2.9 40.5 1.0
CG B:PRO81 3.2 17.2 1.0
CB B:PRO81 3.2 15.8 1.0
O A:GLY48 3.3 15.7 1.0
CA A:GLY49 3.4 17.3 1.0
O A:GLY49 3.5 15.7 1.0
C A:GLY49 3.5 15.8 1.0
C A:GLY48 3.6 15.8 1.0
N A:GLY49 3.7 16.0 1.0
O A:HOH2028 3.8 26.1 1.0
C03 A:BE31100 3.9 25.4 1.0
C01 A:BE31100 3.9 21.4 1.0
CD B:PRO81 4.1 15.1 1.0
N A:ILE50 4.4 16.9 1.0
C02 A:BE31100 4.4 22.3 1.0
CA B:PRO81 4.7 14.5 1.0
CA A:GLY48 4.7 14.7 1.0
O B:HOH2009 4.9 41.3 1.0

Reference:

J.Lindberg, D.Pyring, S.Loewgren, A.Rosenquist, G.Zuccarello, I.Kvarnstroem, H.Zhang, L.Vrang, B.Claesson, A.Hallberg, B.Samuelsson, T.Unge. Symmetric Fluoro-Substituted Diol-Based Hiv Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem. V. 271 4594 2004.
ISSN: ISSN 0014-2956
PubMed: 15560801
DOI: 10.1111/J.1432-1033.2004.04431.X
Page generated: Sun Dec 13 11:33:34 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy