Fluorine in PDB 3gmo: Structure of Mouse CD1D in Complex with C8PHF

The structure of Structure of Mouse CD1D in Complex with C8PHF, PDB code: 3gmo was solved by A.Schiefner, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.740, 97.400, 55.400, 90.00, 106.51, 90.00
R / Rfree (%)	17.7 / 21.6

The binding sites of Fluorine atom in the Structure of Mouse CD1D in Complex with C8PHF (pdb code 3gmo). 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 Mouse CD1D in Complex with C8PHF, PDB code: 3gmo:

Fluorine binding site 1 out of 1 in the Structure of Mouse CD1D in Complex with C8PHF


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Mouse CD1D in Complex with C8PHF within 5.0Å range: probe atom residue distance (Å) B Occ A:F300 b:24.3 occ:1.00 F A:C8F300 0.0 24.3 1.0 CL A:C8F300 1.3 24.0 1.0 CK2 A:C8F300 2.4 26.2 1.0 CK1 A:C8F300 2.4 26.1 1.0 C A:CYS12 3.1 15.4 1.0 O A:CYS12 3.2 16.0 1.0 CB A:CYS12 3.2 15.6 1.0 N A:LEU13 3.3 13.1 1.0 N A:GLN14 3.4 12.9 1.0 C A:LEU13 3.5 14.7 1.0 CB A:GLN14 3.6 13.8 1.0 CJ1 A:C8F300 3.6 23.9 1.0 CJ2 A:C8F300 3.7 23.9 1.0 CA A:CYS12 3.7 14.2 1.0 CA A:LEU13 3.7 13.1 1.0 CA A:GLN14 4.0 15.0 1.0 O A:LEU13 4.0 15.5 1.0 O2 A:PLM301 4.1 38.2 1.0 CI A:C8F300 4.2 22.3 1.0 CB A:SER28 4.3 17.5 1.0 C1 A:PLM301 4.4 31.8 1.0 O A:LEU100 4.4 14.1 1.0 O1 A:PLM301 4.6 37.7 1.0 OE1 A:GLN14 4.6 25.5 1.0 SG A:CYS12 4.8 18.1 1.0 CG A:GLN14 4.8 13.9 1.0 O A:HOH500 4.9 27.0 1.0 N A:CYS12 4.9 15.2 1.0

A.Schiefner, M.Fujio, D.Wu, C.H.Wong, I.A.Wilson. Structural Evaluation of Potent Nkt Cell Agonists: Implications For Design of Novel Stimulatory Ligands. J.Mol.Biol. V. 394 71 2009.
ISSN: ISSN 0022-2836
PubMed: 19732779
DOI: 10.1016/J.JMB.2009.08.061