Atomistry » Fluorine » PDB 3d3e-3du8 » 3dm2
Atomistry »
  Fluorine »
    PDB 3d3e-3du8 »
      3dm2 »

Fluorine in PDB 3dm2: Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511.

Enzymatic activity of Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511.

All present enzymatic activity of Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511.:
2.7.7.49; 2.7.7.7; 3.1.26.4;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511., PDB code: 3dm2 was solved by J.Ren, P.P.Chamberlain, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.54 / 3.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 135.910, 109.210, 71.410, 90.00, 90.00, 90.00
R / Rfree (%) 22.2 / 30.7

Other elements in 3dm2:

The structure of Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511. (pdb code 3dm2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511., PDB code: 3dm2:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 3dm2

Go back to Fluorine Binding Sites List in 3dm2
Fluorine binding site 1 out of 4 in the Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:66.2
occ:1.00
F1 A:GWE999 0.0 66.2 1.0
C14 A:GWE999 1.4 65.3 1.0
F3 A:GWE999 2.2 77.9 1.0
F2 A:GWE999 2.2 74.3 1.0
C12 A:GWE999 2.4 52.1 1.0
C11 A:GWE999 2.8 54.8 1.0
CZ2 A:TRP229 3.2 66.8 1.0
CH2 A:TRP229 3.4 69.3 1.0
CE2 A:TRP229 3.7 64.4 1.0
C13 A:GWE999 3.7 41.3 1.0
CD1 A:TYR188 3.8 65.0 1.0
CZ3 A:TRP229 3.9 60.7 1.0
CE1 A:TYR188 4.0 65.7 1.0
CB A:PRO95 4.2 50.2 1.0
C10 A:GWE999 4.2 55.6 1.0
CD2 A:TRP229 4.2 68.0 1.0
CB A:TYR183 4.3 68.9 1.0
CG A:PRO95 4.3 52.4 1.0
CG A:TYR188 4.3 56.4 1.0
CE3 A:TRP229 4.3 62.9 1.0
NE1 A:TRP229 4.4 64.1 1.0
CG A:TYR183 4.4 92.8 1.0
CZ A:TYR188 4.5 55.4 1.0
CD2 A:TYR183 4.5 98.2 1.0
CD2 A:TYR188 4.8 54.9 1.0
C8 A:GWE999 4.9 45.0 1.0
CE2 A:TYR188 4.9 53.3 1.0
CD A:PRO95 5.0 59.0 1.0
CD1 A:TYR181 5.0 68.7 1.0
CB A:TYR181 5.0 52.3 1.0

Fluorine binding site 2 out of 4 in 3dm2

Go back to Fluorine Binding Sites List in 3dm2
Fluorine binding site 2 out of 4 in the Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:74.3
occ:1.00
F2 A:GWE999 0.0 74.3 1.0
C14 A:GWE999 1.4 65.3 1.0
F3 A:GWE999 2.2 77.9 1.0
F1 A:GWE999 2.2 66.2 1.0
C12 A:GWE999 2.3 52.1 1.0
C13 A:GWE999 2.9 41.3 1.0
C11 A:GWE999 3.5 54.8 1.0
CB A:PRO95 3.5 50.2 1.0
CD2 A:LEU100 3.6 32.1 1.0
CD1 A:TYR181 3.7 68.7 1.0
C8 A:GWE999 4.2 45.0 1.0
CD1 A:LEU100 4.3 38.1 1.0
CE1 A:TYR181 4.3 87.4 1.0
CG A:PRO95 4.3 52.4 1.0
CG A:LEU100 4.5 36.6 1.0
CE2 A:TRP229 4.6 64.4 1.0
NE1 A:TRP229 4.6 64.1 1.0
CZ2 A:TRP229 4.6 66.8 1.0
C10 A:GWE999 4.7 55.6 1.0
CG A:TYR181 4.7 65.2 1.0
CB A:TYR181 4.8 52.3 1.0
CA A:PRO95 4.8 58.5 1.0
O A:PRO95 4.9 51.7 1.0
C9 A:GWE999 5.0 50.7 1.0
C A:PRO95 5.0 56.8 1.0

Fluorine binding site 3 out of 4 in 3dm2

Go back to Fluorine Binding Sites List in 3dm2
Fluorine binding site 3 out of 4 in the Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:77.9
occ:1.00
F3 A:GWE999 0.0 77.9 1.0
C14 A:GWE999 1.4 65.3 1.0
F1 A:GWE999 2.2 66.2 1.0
F2 A:GWE999 2.2 74.3 1.0
C12 A:GWE999 2.3 52.1 1.0
C13 A:GWE999 2.9 41.3 1.0
CB A:TYR181 3.1 52.3 1.0
CD1 A:TYR181 3.2 68.7 1.0
CD1 A:TYR188 3.3 65.0 1.0
CG A:TYR188 3.3 56.4 1.0
CB A:TYR188 3.4 40.1 1.0
C11 A:GWE999 3.4 54.8 1.0
CG A:TYR181 3.6 65.2 1.0
CE1 A:TYR188 4.1 65.7 1.0
CD2 A:TYR188 4.2 54.9 1.0
C8 A:GWE999 4.2 45.0 1.0
CE1 A:TYR181 4.3 87.4 1.0
CA A:TYR181 4.5 42.5 1.0
C10 A:GWE999 4.6 55.6 1.0
O A:TYR181 4.6 20.7 1.0
C A:TYR181 4.7 38.6 1.0
CA A:TYR188 4.8 29.8 1.0
CZ A:TYR188 4.9 55.4 1.0
CE2 A:TYR188 4.9 53.3 1.0
C3 A:GWE999 4.9 37.3 1.0
C9 A:GWE999 4.9 50.7 1.0
CD2 A:TYR181 4.9 72.4 1.0
CD2 A:LEU100 5.0 32.1 1.0
CB A:PRO95 5.0 50.2 1.0

Fluorine binding site 4 out of 4 in 3dm2

Go back to Fluorine Binding Sites List in 3dm2
Fluorine binding site 4 out of 4 in the Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Hiv-1 K103N Mutant Reverse Transcriptase in Complex with GW564511. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:72.4
occ:1.00
F4 A:GWE999 0.0 72.4 1.0
C10 A:GWE999 1.3 55.6 1.0
C9 A:GWE999 2.4 50.7 1.0
C11 A:GWE999 2.4 54.8 1.0
CE2 A:TYR188 3.3 53.3 1.0
CB A:PHE227 3.5 60.8 1.0
C12 A:GWE999 3.7 52.1 1.0
C8 A:GWE999 3.7 45.0 1.0
CE3 A:TRP229 3.9 62.9 1.0
CD2 A:TYR188 3.9 54.9 1.0
CZ A:TYR188 3.9 55.4 1.0
CG A:PHE227 4.0 65.0 1.0
OH A:TYR188 4.1 46.2 1.0
C13 A:GWE999 4.1 41.3 1.0
CZ3 A:TRP229 4.4 60.7 1.0
CD1 A:LEU234 4.4 51.9 1.0
CD2 A:TRP229 4.5 68.0 1.0
CD2 A:PHE227 4.6 67.4 1.0
CB A:TRP229 4.7 66.2 1.0
CD1 A:PHE227 4.7 64.5 1.0
CA A:PHE227 4.7 62.5 1.0
CG A:TRP229 4.8 68.9 1.0
C7 A:GWE999 4.9 36.9 1.0
C A:PHE227 4.9 61.9 1.0
CG A:TYR188 4.9 56.4 1.0
C14 A:GWE999 4.9 65.3 1.0
CE1 A:TYR188 4.9 65.7 1.0

Reference:

J.Ren, P.P.Chamberlain, A.Stamp, S.A.Short, K.L.Weaver, K.R.Romines, R.Hazen, A.Freeman, R.G.Ferris, C.W.Andrews, L.Boone, J.H.Chan, D.K.Stammers. Structural Basis For the Improved Drug Resistance Profile of New Generation Benzophenone Non-Nucleoside Hiv-1 Reverse Transcriptase Inhibitors. J.Med.Chem. V. 51 5000 2008.
ISSN: ISSN 0022-2623
PubMed: 18665583
DOI: 10.1021/JM8004493
Page generated: Sun Dec 13 11:44:58 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