Fluorine in PDB 3d39: The Complex Between Tcr A6 and Human Class I Mhc Hla-A2 with the Modified Htlv-1 Tax (Y5(4-Fluorophenylalanine)) Peptide

The structure of The Complex Between Tcr A6 and Human Class I Mhc Hla-A2 with the Modified Htlv-1 Tax (Y5(4-Fluorophenylalanine)) Peptide, PDB code: 3d39 was solved by O.Y.Borbulevych, J.R.Clemens, B.M.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.81
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	224.245, 48.320, 93.218, 90.00, 90.51, 90.00
R / Rfree (%)	20.1 / 26.9

The binding sites of Fluorine atom in the The Complex Between Tcr A6 and Human Class I Mhc Hla-A2 with the Modified Htlv-1 Tax (Y5(4-Fluorophenylalanine)) Peptide (pdb code 3d39). 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 The Complex Between Tcr A6 and Human Class I Mhc Hla-A2 with the Modified Htlv-1 Tax (Y5(4-Fluorophenylalanine)) Peptide, PDB code: 3d39:

Fluorine binding site 1 out of 1 in the The Complex Between Tcr A6 and Human Class I Mhc Hla-A2 with the Modified Htlv-1 Tax (Y5(4-Fluorophenylalanine)) Peptide


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Complex Between Tcr A6 and Human Class I Mhc Hla-A2 with the Modified Htlv-1 Tax (Y5(4-Fluorophenylalanine)) Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:F5 b:60.2 occ:1.00 F C:PFF5 0.0 60.2 1.0 CZ C:PFF5 1.3 59.6 1.0 CE2 C:PFF5 2.3 59.3 1.0 CE1 C:PFF5 2.3 59.6 1.0 CB D:SER31 3.3 67.6 1.0 CD2 C:PFF5 3.6 59.4 1.0 CD1 C:PFF5 3.6 59.6 1.0 CG2 D:THR93 3.7 62.4 1.0 N D:ASP99 3.8 59.2 1.0 CA D:ASP99 3.8 60.7 1.0 OG D:SER31 3.8 68.8 1.0 C D:THR98 3.9 59.5 1.0 O D:THR98 3.9 60.2 1.0 N D:SER31 3.9 67.9 1.0 CG C:PFF5 4.1 60.1 1.0 C D:GLN30 4.2 68.7 1.0 CA D:SER31 4.2 67.3 1.0 CB E:PRO103 4.2 74.3 1.0 C D:ASP99 4.3 62.2 1.0 CB D:GLN30 4.3 71.5 1.0 O D:THR93 4.4 60.1 1.0 CG E:PRO103 4.5 74.8 1.0 O D:GLN30 4.5 68.0 1.0 C D:THR93 4.6 60.5 1.0 N D:THR98 4.6 60.0 1.0 CA D:THR98 4.7 58.8 1.0 CA D:GLN30 4.8 69.9 1.0 N D:SER100 4.8 62.4 1.0 O D:ASP99 4.8 62.2 1.0 CB D:THR93 4.9 62.8 1.0

K.H.Piepenbrink, O.Y.Borbulevych, R.F.Sommese, J.Clemens, K.M.Armstrong, C.Desmond, P.Do, B.M.Baker. Fluorine Substitutions in An Antigenic Peptide Selectively Modulate T-Cell Receptor Binding in A Minimally Perturbing Manner Biochem.J. V. 423 353 2009.
ISSN: ISSN 0264-6021
PubMed: 19698083
DOI: 10.1042/BJ20090732