Fluorine in PDB 7mxh: CD1C with Antigen Analogue 3

The structure of CD1C with Antigen Analogue 3, PDB code: 7mxh was solved by T.P.Cao, A.Shahine, J.Rossjohn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.16 / 2.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.569, 72.734, 98.922, 90, 90, 90
R / Rfree (%)	20.8 / 25.5

The binding sites of Fluorine atom in the CD1C with Antigen Analogue 3 (pdb code 7mxh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the CD1C with Antigen Analogue 3, PDB code: 7mxh:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the CD1C with Antigen Analogue 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of CD1C with Antigen Analogue 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:92.8 occ:1.00 F1 A:ZQ7302 0.0 92.8 1.0 C1 A:ZQ7302 1.4 90.9 1.0 F2 A:ZQ7302 2.2 85.6 1.0 C31 A:ZQ7302 2.3 94.2 1.0 O1 A:ZQ7302 2.5 95.9 1.0 P1 A:ZQ7302 2.6 96.4 1.0 O8 A:ZQ7302 2.9 90.7 1.0 CD1 A:LEU69 3.2 58.1 1.0 O5 A:ZQ7302 3.6 83.0 1.0 C28 A:ZQ7302 3.7 90.5 1.0 O7 A:ZQ7302 3.8 93.8 1.0 C29 A:ZQ7302 3.9 95.1 1.0 O4 A:ZQ7302 4.0 86.0 1.0 C35 A:ZQ7302 4.3 73.6 1.0 C36 A:ZQ7302 4.5 94.0 1.0 CG A:LEU69 4.7 50.0 1.0 C27 A:ZQ7302 4.8 94.2 1.0 C26 A:ZQ7302 4.8 94.9 1.0 C32 A:ZQ7302 4.9 61.5 1.0

Fluorine binding site 2 out of 2 in the CD1C with Antigen Analogue 3


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of CD1C with Antigen Analogue 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:85.6 occ:1.00 F2 A:ZQ7302 0.0 85.6 1.0 C1 A:ZQ7302 1.4 90.9 1.0 F1 A:ZQ7302 2.2 92.8 1.0 O4 A:ZQ7302 2.3 86.0 1.0 C31 A:ZQ7302 2.4 94.2 1.0 P1 A:ZQ7302 2.7 96.4 1.0 O1 A:ZQ7302 2.8 95.9 1.0 C28 A:ZQ7302 2.8 90.5 1.0 O5 A:ZQ7302 3.0 83.0 1.0 CD2 A:PHE72 3.2 59.4 1.0 CD1 A:LEU69 3.5 58.1 1.0 CG A:PHE72 3.6 55.2 1.0 O7 A:ZQ7302 3.6 93.8 1.0 CB A:PHE72 3.8 50.0 1.0 O8 A:ZQ7302 3.8 90.7 1.0 CE2 A:PHE72 3.9 64.0 1.0 C29 A:ZQ7302 3.9 95.1 1.0 C27 A:ZQ7302 4.0 94.2 1.0 C26 A:ZQ7302 4.1 94.9 1.0 C35 A:ZQ7302 4.2 73.6 1.0 CD1 A:PHE72 4.4 58.9 1.0 C32 A:ZQ7302 4.6 61.5 1.0 C36 A:ZQ7302 4.6 94.0 1.0 CZ A:PHE72 4.7 64.1 1.0 O2 A:ZQ7302 4.9 93.1 1.0 CE1 A:PHE72 4.9 65.0 1.0 CA A:LEU69 4.9 41.4 1.0 CG A:LEU69 4.9 50.0 1.0

J.F.Reijneveld, L.Marino, T.P.Cao, T.Y.Cheng, D.Dam, A.Shahine, M.D.Witte, D.V.Filippov, S.Suliman, G.A.Van Der Marel, D.B.Moody, A.J.Minnaard, J.Rossjohn, J.D.C.Codee, I.Van Rhijn. Rational Design of A Hydrolysis-Resistant Mycobacterial Phosphoglycolipid Antigen Presented By CD1C to T Cells. J.Biol.Chem. V. 297 01197 2021.
ISSN: ESSN 1083-351X
PubMed: 34536421
DOI: 10.1016/J.JBC.2021.101197