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Chlorine in PDB 3dmj: Crystal Structure of Hiv-1 V106A and Y181C Mutant Reverse Transcriptase in Complex with GW564511.

Enzymatic activity of Crystal Structure of Hiv-1 V106A and Y181C Mutant Reverse Transcriptase in Complex with GW564511.

All present enzymatic activity of Crystal Structure of Hiv-1 V106A and Y181C 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 V106A and Y181C Mutant Reverse Transcriptase in Complex with GW564511., PDB code: 3dmj 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) 29.78 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 137.190, 108.990, 71.940, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 28.4

Other elements in 3dmj:

The structure of Crystal Structure of Hiv-1 V106A and Y181C Mutant Reverse Transcriptase in Complex with GW564511. also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 V106A and Y181C Mutant Reverse Transcriptase in Complex with GW564511. (pdb code 3dmj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Hiv-1 V106A and Y181C Mutant Reverse Transcriptase in Complex with GW564511., PDB code: 3dmj:

Chlorine binding site 1 out of 1 in 3dmj

Go back to Chlorine Binding Sites List in 3dmj
Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 V106A and Y181C Mutant Reverse Transcriptase in Complex with GW564511.


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 Hiv-1 V106A and Y181C Mutant Reverse Transcriptase in Complex with GW564511. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:52.0
occ:1.00
 CL1 A:GWE999 0.0 52.0 1.0
C4 A:GWE999 1.7 27.2 1.0
C5 A:GWE999 2.7 39.1 1.0
C3 A:GWE999 2.8 31.6 1.0
O A:TYR188 3.1 39.2 1.0
O A:VAL179 3.2 51.9 1.0
N A:GLY190 3.2 35.3 1.0
C A:TYR188 3.5 35.6 1.0
C A:VAL189 3.7 34.2 1.0
CG2 A:VAL179 3.7 53.5 1.0
N A:VAL189 3.8 36.0 1.0
SG A:CYS181 3.8 45.4 1.0
CA A:GLY190 3.9 30.6 1.0
CA A:VAL189 3.9 28.3 1.0
C2 A:GWE999 4.0 35.8 1.0
CB A:TYR188 4.1 40.2 1.0
C6 A:GWE999 4.1 33.2 1.0
C A:VAL179 4.1 43.4 1.0
CA A:TYR188 4.4 33.6 1.0
N A:CYS181 4.4 42.3 1.0
O A:VAL189 4.5 37.2 1.0
C1 A:GWE999 4.6 35.4 1.0
CB A:CYS181 4.6 44.2 1.0
CB A:VAL179 4.7 53.2 1.0
CA A:ILE180 4.7 34.5 1.0
CG1 A:VAL179 4.8 53.0 1.0
N A:ILE180 4.8 34.9 1.0
C A:GLY190 4.9 36.6 1.0
C A:ILE180 5.0 42.9 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 09:38:44 2020

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