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Chlorine in PDB 1tkt: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318

Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318, PDB code: 1tkt was solved by A.L.Hopkins, J.Ren, D.I.Stuart, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.83 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 138.200, 115.100, 65.200, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 28.2

Other elements in 1tkt:

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318 (pdb code 1tkt). 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 Reverse Transcriptase in Complex with GW426318, PDB code: 1tkt:

Chlorine binding site 1 out of 1 in 1tkt

Go back to Chlorine Binding Sites List in 1tkt
Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with GW426318


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 Reverse Transcriptase in Complex with GW426318 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:50.8
occ:1.00
 CL A:H12999 0.0 50.8 1.0
C8 A:H12999 1.7 47.7 1.0
C9 A:H12999 2.7 49.6 1.0
C7 A:H12999 2.7 37.0 1.0
O A:HIS235 3.2 69.5 1.0
C A:HIS235 3.5 66.8 1.0
O A:LEU234 3.5 58.1 1.0
C A:LEU234 3.7 58.2 1.0
CD2 A:PHE227 3.7 58.0 1.0
CB A:LEU234 3.8 53.0 1.0
N A:PRO236 3.9 65.3 1.0
N A:HIS235 4.0 59.1 1.0
C10 A:H12999 4.0 44.6 1.0
C3 A:H12999 4.0 30.1 1.0
CA A:HIS235 4.1 64.7 1.0
CA A:PRO236 4.2 62.5 1.0
OH A:TYR318 4.2 40.2 1.0
CG A:PRO225 4.3 66.4 1.0
CE2 A:PHE227 4.4 50.4 1.0
CB A:VAL106 4.4 47.5 1.0
CA A:LEU234 4.4 58.0 1.0
CG2 A:VAL106 4.5 47.5 1.0
CG1 A:VAL106 4.5 51.2 1.0
C2 A:H12999 4.5 30.1 1.0
CB A:PRO225 4.6 70.5 1.0
CD A:PRO236 4.7 60.8 1.0
CG A:PHE227 4.7 58.5 1.0
CB A:PHE227 4.8 63.5 1.0
CG A:PRO236 4.9 56.8 1.0

Reference:

A.L.Hopkins, J.Ren, J.Milton, R.J.Hazen, J.H.Chan, D.I.Stuart, D.K.Stammers. Design of Non-Nucleoside Inhibitors of Hiv-1 Reverse Transcriptase with Improved Drug Resistance Properties. 1. J.Med.Chem. V. 47 5912 2004.
ISSN: ISSN 0022-2623
PubMed: 15537346
DOI: 10.1021/JM040071Z
Page generated: Sat Jul 20 02:31:28 2024

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