Fluorine in PDB 6c98: Crystal Structure of Fcrn Bound to Ucb-84

The structure of Crystal Structure of Fcrn Bound to Ucb-84, PDB code: 6c98 was solved by D.Fox Iii, C.M.Lukacs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.42 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.270, 76.290, 138.060, 90.00, 90.01, 90.00
R / Rfree (%)	17.2 / 21.3

The binding sites of Fluorine atom in the Crystal Structure of Fcrn Bound to Ucb-84 (pdb code 6c98). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Fcrn Bound to Ucb-84, PDB code: 6c98:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Fcrn Bound to Ucb-84


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 Fcrn Bound to Ucb-84 within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:19.1 occ:1.00 F B:ER7101 0.0 19.1 1.0 C B:ER7101 1.3 18.5 1.0 C1 B:ER7101 2.4 13.5 1.0 C13 B:ER7101 2.4 11.2 1.0 N B:LEU65 3.3 13.0 1.0 CD1 B:TYR63 3.4 15.7 1.0 OG B:SER52 3.4 16.9 1.0 CA B:LEU64 3.4 15.4 0.6 C B:LEU64 3.5 14.5 1.0 CB B:LEU65 3.5 12.4 1.0 CE1 B:TYR26 3.5 13.9 1.0 C2 B:ER7101 3.6 11.3 1.0 C4 B:ER7101 3.7 12.7 1.0 CA B:LEU64 3.7 15.5 0.4 CE1 B:TYR63 3.8 21.7 1.0 CG A:PRO228 3.8 14.9 1.0 N B:LEU64 3.9 14.8 1.0 CA B:LEU65 3.9 11.2 1.0 CD1 B:TYR26 4.0 16.7 1.0 C3 B:ER7101 4.1 15.0 1.0 CB B:SER52 4.1 15.4 1.0 O B:LEU64 4.2 14.7 1.0 C B:TYR63 4.4 16.3 1.0 O B:TYR63 4.5 14.2 1.0 CG B:TYR63 4.6 15.0 1.0 CZ B:TYR26 4.7 15.7 1.0 CB B:LEU64 4.7 18.7 0.6 O B:ASP53 4.7 17.5 1.0 O B:HOH274 4.8 28.6 1.0 CG B:LEU65 4.8 14.3 1.0 CD A:PRO228 4.8 13.4 1.0 O B:HOH277 4.9 24.8 1.0 O B:ER7101 4.9 18.3 1.0 CB A:PRO228 4.9 13.5 1.0 C5 B:ER7101 4.9 14.6 1.0 OH B:TYR26 5.0 16.0 1.0 CB B:TYR63 5.0 14.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Fcrn Bound to Ucb-84


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Fcrn Bound to Ucb-84 within 5.0Å range: probe atom residue distance (Å) B Occ D:F101 b:20.3 occ:1.00 F D:ER7101 0.0 20.3 1.0 C D:ER7101 1.3 19.3 1.0 C1 D:ER7101 2.4 15.5 1.0 C13 D:ER7101 2.4 11.2 1.0 N D:LEU65 3.2 12.3 1.0 OG D:SER52 3.4 17.9 1.0 CA D:LEU64 3.4 15.1 0.6 CD1 D:TYR63 3.4 18.1 1.0 C D:LEU64 3.4 15.3 1.0 CB D:LEU65 3.5 12.6 1.0 CE1 D:TYR26 3.6 15.5 1.0 C2 D:ER7101 3.6 12.4 1.0 CA D:LEU64 3.7 15.8 0.4 C4 D:ER7101 3.7 11.0 1.0 CE1 D:TYR63 3.8 21.9 1.0 CG C:PRO228 3.9 16.5 1.0 N D:LEU64 3.9 14.5 1.0 CA D:LEU65 3.9 12.2 1.0 CD1 D:TYR26 4.0 15.8 1.0 CB D:SER52 4.1 15.2 1.0 C3 D:ER7101 4.1 13.2 1.0 O D:LEU64 4.1 16.0 1.0 C D:TYR63 4.4 18.4 1.0 O D:TYR63 4.5 17.5 1.0 CG D:TYR63 4.6 17.2 1.0 CB D:LEU64 4.7 21.1 0.6 CZ D:TYR26 4.7 15.7 1.0 O D:ASP53 4.7 17.7 1.0 CG D:LEU65 4.8 13.7 1.0 CD C:PRO228 4.9 13.4 1.0 O D:HOH268 4.9 29.3 1.0 O D:ER7101 4.9 18.2 1.0 CB C:PRO228 4.9 13.6 1.0 C5 D:ER7101 4.9 11.7 1.0 OH D:TYR26 5.0 15.6 1.0

D.Stoppler, A.Macpherson, S.Smith-Penzel, N.Basse, F.Lecomte, H.Deboves, R.D.Taylor, T.Norman, J.Porter, L.C.Waters, M.Westwood, B.Cossins, K.Cain, J.White, R.Griffin, C.Prosser, S.Kelm, A.H.Sullivan, D.Fox, M.D.Carr, A.Henry, R.Taylor, B.H.Meier, H.Oschkinat, A.D.Lawson. Insight Into Small Molecule Binding to the Neonatal Fc Receptor By X-Ray Crystallography and 100 Khz Magic-Angle-Spinning uc(Nmr). Plos Biol. V. 16 06192 2018.
ISSN: ESSN 1545-7885
PubMed: 29782488
DOI: 10.1371/JOURNAL.PBIO.2006192