Atomistry » Chlorine » PDB 3dna-3dzc » 3dol
Atomistry »
  Chlorine »
    PDB 3dna-3dzc »
      3dol »

Chlorine in PDB 3dol: Crystal Structure of L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634.

Enzymatic activity of Crystal Structure of L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634.

All present enzymatic activity of Crystal Structure of L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634.:
2.7.7.49; 2.7.7.7; 3.1.26.4;

Protein crystallography data

The structure of Crystal Structure of L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634., PDB code: 3dol 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) 29.91 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 139.010, 111.530, 73.030, 90.00, 90.00, 90.00
R / Rfree (%) 22.4 / 28.8

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634. (pdb code 3dol). 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 L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634., PDB code: 3dol:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3dol

Go back to Chlorine Binding Sites List in 3dol
Chlorine binding site 1 out of 2 in the Crystal Structure of L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634.


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 L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:39.2
occ:1.00
CL A:GWI999 0.0 39.2 1.0
C4 A:GWI999 1.7 34.4 1.0
C5 A:GWI999 2.7 38.7 1.0
C3 A:GWI999 2.8 32.8 1.0
O A:TYR188 3.2 40.1 1.0
N A:GLY190 3.3 37.6 1.0
O A:VAL179 3.6 51.0 1.0
C A:VAL189 3.7 47.7 1.0
C A:TYR188 3.7 47.3 1.0
CA A:GLY190 3.7 34.8 1.0
CA A:VAL189 4.0 33.2 1.0
C2 A:GWI999 4.0 29.0 1.0
N A:VAL189 4.0 48.2 1.0
C6 A:GWI999 4.1 36.9 1.0
CD2 A:TYR181 4.2 82.6 1.0
CE2 A:TYR181 4.3 84.7 1.0
CG1 A:VAL179 4.3 37.8 1.0
O A:VAL189 4.3 52.0 1.0
CG A:TYR181 4.4 71.0 1.0
CB A:TYR188 4.4 47.6 1.0
C A:VAL179 4.4 46.7 1.0
CB A:VAL179 4.5 50.1 1.0
C1 A:GWI999 4.6 31.5 1.0
CZ A:TYR181 4.6 73.9 1.0
CD1 A:TYR181 4.7 73.6 1.0
CA A:TYR188 4.7 35.3 1.0
CE1 A:TYR181 4.8 73.7 1.0
CG2 A:VAL106 4.8 34.8 1.0
N A:TYR181 4.8 40.2 1.0
C A:GLY190 4.8 47.1 1.0
CG1 A:VAL106 5.0 44.4 1.0

Chlorine binding site 2 out of 2 in 3dol

Go back to Chlorine Binding Sites List in 3dol
Chlorine binding site 2 out of 2 in the Crystal Structure of L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634.


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 L100I Mutant Hiv-1 Reverse Transcriptase in Complex with GW695634. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:57.0
occ:1.00
CL1 A:GWI999 0.0 57.0 1.0
C10 A:GWI999 1.8 50.5 1.0
C9 A:GWI999 2.7 36.0 1.0
C11 A:GWI999 2.8 45.1 1.0
CD1 A:TYR181 3.6 73.6 1.0
CD1 A:TYR188 3.6 46.6 1.0
CH2 A:TRP229 3.8 51.0 1.0
CZ2 A:TRP229 3.8 39.3 1.0
CE1 A:TYR188 3.9 49.5 1.0
CE1 A:TYR181 4.0 73.7 1.0
CZ3 A:TRP229 4.1 43.4 1.0
C8 A:GWI999 4.1 43.0 1.0
C12 A:GWI999 4.1 55.6 1.0
CD1 A:ILE100 4.1 31.3 1.0
CE2 A:TRP229 4.1 41.1 1.0
CE3 A:TRP229 4.4 49.2 1.0
CB A:PRO95 4.4 54.7 1.0
CD2 A:TRP229 4.4 40.8 1.0
CG A:TYR188 4.4 48.3 1.0
C13 A:GWI999 4.6 44.1 1.0
CG A:PRO95 4.6 39.3 1.0
CG A:TYR181 4.7 71.0 1.0
NE1 A:TRP229 4.8 50.6 1.0
CZ A:TYR188 4.9 66.8 1.0
CB A:TYR181 4.9 50.5 1.0
CB A:TYR188 5.0 47.6 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: Fri Jul 11 04:34:46 2025

Last articles

Cl in 3KW0
Cl in 3KXR
Cl in 3KWE
Cl in 3KWK
Cl in 3KWD
Cl in 3KWC
Cl in 3KW4
Cl in 3KVW
Cl in 3KUR
Cl in 3KVK
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy