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Fluorine in PDB 3kk1: Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site

Enzymatic activity of Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site

All present enzymatic activity of Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site:
2.7.7.49;

Protein crystallography data

The structure of Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site, PDB code: 3kk1 was solved by E.B.Lansdon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.71 / 2.70
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 165.753, 169.239, 103.026, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 28.2

Other elements in 3kk1:

The structure of Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site (pdb code 3kk1). 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 Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site, PDB code: 3kk1:

Fluorine binding site 1 out of 1 in 3kk1

Go back to Fluorine Binding Sites List in 3kk1
Fluorine binding site 1 out of 1 in the Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Hiv-1 Reverse Transcriptase-Dna Complex with Nuceotide Inhibitor Gs- 9148-Diphosphate Bound in Nucleotide Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F825

b:56.2
occ:1.00
 F1 A:914825 0.0 56.2 1.0
C3 A:914825 1.3 53.3 1.0
C2 A:914825 2.3 52.5 1.0
C4 A:914825 2.5 52.0 1.0
OE1 A:GLN151 2.8 46.3 1.0
CE2 A:TYR115 3.1 38.1 1.0
N1 A:914825 3.1 51.8 1.0
N3 A:914825 3.2 52.1 1.0
CG A:GLN151 3.2 42.1 1.0
CD A:GLN151 3.2 44.5 1.0
CD2 A:TYR115 3.3 37.2 1.0
C5 A:914825 3.4 51.3 1.0
CZ A:TYR115 3.4 38.8 1.0
O1 A:914825 3.5 52.6 1.0
C1 A:914825 3.5 51.4 1.0
CB A:GLN151 3.5 40.1 1.0
CG A:TYR115 3.7 37.0 1.0
CE1 A:TYR115 3.8 37.2 1.0
OH A:TYR115 4.0 39.1 1.0
CD1 A:TYR115 4.0 34.8 1.0
NE2 A:GLN151 4.2 46.7 1.0
CA A:GLN151 4.3 41.1 1.0
C8 A:914825 4.3 52.0 1.0
C7 A:914825 4.3 51.8 1.0
O2 A:914825 4.4 48.4 1.0
CB A:TYR115 4.6 36.9 1.0
C6 A:914825 4.6 51.0 1.0
NE A:ARG72 4.7 51.4 1.0

Reference:

E.B.Lansdon, D.Samuel, L.Lagpacan, K.M.Brendza, K.L.White, M.Hung, X.Liu, C.G.Boojamra, R.L.Mackman, T.Cihlar, A.S.Ray, M.E.Mcgrath, S.Swaminathan. Visualizing the Molecular Interactions of A Nucleotide Analog, Gs-9148, with Hiv-1 Reverse Transcriptase-Dna Complex. J.Mol.Biol. V. 397 967 2010.
ISSN: ISSN 0022-2836
PubMed: 20156454
DOI: 10.1016/J.JMB.2010.02.019
Page generated: Wed Jul 31 19:54:50 2024

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