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Fluorine in PDB 6otz: Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna and (+)Ftc-Tp

Enzymatic activity of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna and (+)Ftc-Tp

All present enzymatic activity of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna and (+)Ftc-Tp:
2.7.7.49; 2.7.7.7; 3.1.26.13;

Protein crystallography data

The structure of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna and (+)Ftc-Tp, PDB code: 6otz was solved by N.Bertoletti, K.S.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.82 / 2.86
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 167.069, 170.368, 103.188, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 24.1

Other elements in 6otz:

The structure of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna and (+)Ftc-Tp also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna and (+)Ftc-Tp (pdb code 6otz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna and (+)Ftc-Tp, PDB code: 6otz:

Fluorine binding site 1 out of 1 in 6otz

Go back to Fluorine Binding Sites List in 6otz
Fluorine binding site 1 out of 1 in the Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna and (+)Ftc-Tp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Dsdna and (+)Ftc-Tp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F604

b:38.1
occ:1.00
FAJ A:N8G604 0.0 38.1 1.0
CAU A:N8G604 1.3 41.0 1.0
CAK A:N8G604 2.3 40.0 1.0
CAT A:N8G604 2.4 42.3 1.0
NAA A:N8G604 2.7 42.3 1.0
NH2 A:ARG72 3.2 49.0 1.0
CZ A:ARG72 3.3 50.3 1.0
NH1 A:ARG72 3.5 59.0 1.0
NAY A:N8G604 3.6 41.7 1.0
NAN A:N8G604 3.6 42.9 1.0
N7 P:DDG822 3.6 37.2 1.0
C5 P:DDG822 3.8 35.3 1.0
NE A:ARG72 3.9 46.6 1.0
C8 P:DDG822 4.0 36.9 1.0
CAV A:N8G604 4.1 47.3 1.0
C6 P:DDG822 4.2 31.0 1.0
OAH A:N8G604 4.3 32.8 1.0
C4 P:DDG822 4.3 35.2 1.0
O6 P:DDG822 4.4 32.3 1.0
N9 P:DDG822 4.5 36.2 1.0
OAO A:N8G604 4.5 36.5 1.0
CD A:ARG72 4.7 45.8 1.0
OAP A:N8G604 4.8 41.8 1.0
CAX A:N8G604 4.8 41.0 1.0
N1 P:DDG822 5.0 28.9 1.0

Reference:

N.Bertoletti, A.H.Chan, R.F.Schinazi, Y.W.Yin, K.S.Anderson. Structural Insights Into the Recognition of Nucleoside Reverse Transcriptase Inhibitors By Hiv-1 Reverse Transcriptase: First Crystal Structures with Reverse Transcriptase and the Active Triphosphate Forms of Lamivudine and Emtricitabine. Protein Sci. V. 28 1664 2019.
ISSN: ESSN 1469-896X
PubMed: 31301259
DOI: 10.1002/PRO.3681
Page generated: Thu Aug 1 23:54:43 2024

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