Atomistry » Chlorine » PDB 3dn8-3dyv » 3dok
Atomistry »
  Chlorine »
    PDB 3dn8-3dyv »
      3dok »

Chlorine in PDB 3dok: Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248.

Enzymatic activity of Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248.

All present enzymatic activity of Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248.:
2.7.7.49; 2.7.7.7; 3.1.26.4;

Protein crystallography data

The structure of Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248., PDB code: 3dok was solved by P.P.Chamberlain, J.Ren, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.79 / 2.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 136.940, 109.770, 72.480, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 31.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248. (pdb code 3dok). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248., PDB code: 3dok:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3dok

Go back to Chlorine Binding Sites List in 3dok
Chlorine binding site 1 out of 2 in the Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:55.5
occ:1.00
CL A:GWJ999 0.0 55.5 1.0
C4 A:GWJ999 1.7 36.6 1.0
C3 A:GWJ999 2.7 35.1 1.0
C5 A:GWJ999 2.7 41.1 1.0
O A:TYR188 2.8 60.0 1.0
N A:GLY190 3.2 52.1 1.0
C A:TYR188 3.4 51.4 1.0
O A:VAL179 3.5 80.1 1.0
CG1 A:VAL179 3.5 55.3 1.0
C A:VAL189 3.7 54.6 1.0
CA A:GLY190 3.8 67.2 1.0
N A:VAL189 3.9 64.1 1.0
C2 A:GWJ999 3.9 47.0 1.0
CA A:VAL189 4.0 55.9 1.0
CD2 A:TYR181 4.0 78.1 1.0
CB A:TYR188 4.0 62.2 1.0
C6 A:GWJ999 4.1 43.8 1.0
CG A:TYR181 4.1 81.6 1.0
CA A:TYR188 4.3 50.7 1.0
C A:VAL179 4.3 75.9 1.0
CE2 A:TYR181 4.3 87.7 1.0
CG2 A:VAL106 4.3 60.7 1.0
N A:TYR181 4.3 56.6 1.0
CD1 A:TYR181 4.5 87.3 1.0
O A:VAL189 4.5 64.0 1.0
CB A:TYR181 4.6 66.7 1.0
C1 A:GWJ999 4.6 55.1 1.0
CB A:VAL179 4.6 60.0 1.0
CG1 A:VAL106 4.7 50.6 1.0
CZ A:TYR181 4.7 99.3 1.0
CE1 A:TYR181 4.8 91.6 1.0
C A:GLY190 4.8 65.3 1.0
O A:GLY190 4.9 67.2 1.0
CA A:ILE180 4.9 59.2 1.0
N A:ILE180 4.9 68.2 1.0

Chlorine binding site 2 out of 2 in 3dok

Go back to Chlorine Binding Sites List in 3dok
Chlorine binding site 2 out of 2 in the Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase in Complex with GW678248. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:73.1
occ:1.00
CL1 A:GWJ999 0.0 73.1 1.0
C10 A:GWJ999 1.7 59.2 1.0
C9 A:GWJ999 2.7 63.2 1.0
C11 A:GWJ999 2.7 52.6 1.0
CZ2 A:TRP229 3.6 52.8 1.0
CD1 A:TYR188 3.6 64.9 1.0
CH2 A:TRP229 3.7 52.3 1.0
C8 A:GWJ999 4.0 58.3 1.0
CD2 A:LEU100 4.0 35.5 1.0
CE2 A:TRP229 4.0 57.6 1.0
C12 A:GWJ999 4.0 55.7 1.0
CE1 A:TYR188 4.1 63.8 1.0
CB A:PRO95 4.1 39.0 1.0
CD1 A:TYR181 4.1 87.3 1.0
CZ3 A:TRP229 4.2 64.2 1.0
CG A:PRO95 4.3 39.8 1.0
CG A:TYR188 4.4 75.3 1.0
CD2 A:TRP229 4.5 52.1 1.0
C13 A:GWJ999 4.5 49.9 1.0
CE3 A:TRP229 4.6 44.5 1.0
NE1 A:TRP229 4.7 39.7 1.0
CB A:TYR188 4.8 62.2 1.0
CB A:TYR181 4.8 66.7 1.0
CE1 A:TYR181 4.9 91.6 1.0
CD1 A:LEU100 4.9 44.8 1.0
CG A:LEU100 5.0 42.8 1.0
CG A:TYR181 5.0 81.6 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: Sat Dec 12 09:38:54 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