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Fluorine in PDB 1dtt: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94)

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94), PDB code: 1dtt was solved by J.Ren, J.Diprose, J.Warren, R.M.Esnouf, L.E.Bird, S.Ikemizu, M.Slater, J.Milton, J.Balzarini, 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) 30.00 / 3.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 140.700, 110.800, 73.400, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 27.6

Other elements in 1dtt:

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94) (pdb code 1dtt). 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 Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94), PDB code: 1dtt:

Fluorine binding site 1 out of 1 in 1dtt

Go back to Fluorine Binding Sites List in 1dtt
Fluorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Pett- 2 (PETT130A94) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:47.8
occ:1.00
F18 A:FTC999 0.0 47.8 1.0
C18 A:FTC999 1.3 55.6 1.0
C17 A:FTC999 2.4 57.3 1.0
C13 A:FTC999 2.4 54.7 1.0
O17 A:FTC999 2.8 71.3 1.0
C12 A:FTC999 2.9 48.6 1.0
CB A:TYR188 3.0 51.0 1.0
N2 A:FTC999 3.5 46.1 1.0
CA A:FTC999 3.5 71.6 1.0
C3 A:FTC999 3.6 38.1 1.0
N14 A:FTC999 3.6 54.5 1.0
CG1 A:VAL106 3.7 49.3 1.0
C16 A:FTC999 3.7 35.1 1.0
CG A:TYR188 3.7 61.7 1.0
CD2 A:TYR188 3.7 66.4 1.0
N10 A:FTC999 4.1 51.2 1.0
C11 A:FTC999 4.1 47.0 1.0
CA A:TYR188 4.1 45.8 1.0
C15 A:FTC999 4.2 34.9 1.0
C A:TYR188 4.2 46.9 1.0
N A:VAL189 4.4 48.6 1.0
CB A:FTC999 4.5 69.7 1.0
O A:TYR188 4.6 43.0 1.0
CB A:TYR181 4.8 55.2 1.0
C1 A:FTC999 4.8 42.8 1.0
C4 A:FTC999 4.9 43.6 1.0
CD1 A:TYR188 4.9 66.5 1.0
CE2 A:TYR188 4.9 69.2 1.0

Reference:

J.Ren, J.Diprose, J.Warren, R.M.Esnouf, L.E.Bird, S.Ikemizu, M.Slater, J.Milton, J.Balzarini, D.I.Stuart, D.K.Stammers. Phenylethylthiazolylthiourea (Pett) Non-Nucleoside Inhibitors of Hiv-1 and Hiv-2 Reverse Transcriptases. Structural and Biochemical Analyses. J.Biol.Chem. V. 275 5633 2000.
ISSN: ISSN 0021-9258
PubMed: 10681546
DOI: 10.1074/JBC.275.8.5633
Page generated: Wed Jul 31 11:05:28 2024

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