Fluorine in PDB 6c99: Crystal Structure of Fcrn Bound to Ucb-303

The structure of Crystal Structure of Fcrn Bound to Ucb-303, PDB code: 6c99 was solved by D.Fox Iii, J.Abendroth, J.Porter, H.Deboves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.59 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.770, 76.080, 140.040, 90.00, 93.56, 90.00
R / Rfree (%)	18.9 / 22

The binding sites of Fluorine atom in the Crystal Structure of Fcrn Bound to Ucb-303 (pdb code 6c99). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Fcrn Bound to Ucb-303, PDB code: 6c99:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of Fcrn Bound to Ucb-303


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-303 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:18.7 occ:1.00 F17 A:EQY301 0.0 18.7 1.0 C16 A:EQY301 1.4 17.1 1.0 C18 A:EQY301 2.3 16.5 1.0 C15 A:EQY301 2.4 16.8 1.0 OE1 A:GLN34 3.4 17.6 1.0 CZ2 A:TRP29 3.5 20.5 1.0 O B:ASP53 3.5 16.7 1.0 C19 A:EQY301 3.6 17.5 1.0 O A:HOH462 3.6 17.2 1.0 C14 A:EQY301 3.7 15.6 1.0 CB B:ASP53 3.7 20.9 1.0 CB B:SER55 3.7 22.7 1.0 CH2 A:TRP29 3.9 20.9 1.0 CD A:GLN34 3.9 18.8 1.0 C B:ASP53 4.0 17.2 1.0 C21 A:EQY301 4.1 12.4 1.0 N B:ASP53 4.1 16.0 1.0 CA B:ASP53 4.2 15.6 1.0 NE2 A:GLN34 4.3 15.3 1.0 CB B:SER52 4.4 13.8 1.0 OG B:SER52 4.4 12.9 1.0 OG B:SER55 4.5 22.1 1.0 CE2 A:TRP29 4.6 19.6 1.0 CE1 B:TYR63 4.7 20.5 1.0 N B:SER55 4.7 19.0 1.0 F20 A:EQY301 4.7 17.3 1.0 CG B:ASP53 4.8 27.4 1.0 CA B:SER55 4.8 19.6 1.0 CG A:GLN34 4.8 16.8 1.0 CB A:SER27 4.9 12.7 1.0 C13 A:EQY301 4.9 17.8 1.0 OD2 B:ASP53 4.9 29.3 1.0 CB A:GLN34 5.0 18.4 1.0 OG A:SER27 5.0 15.5 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of Fcrn Bound to Ucb-303


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-303 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:17.3 occ:1.00 F20 A:EQY301 0.0 17.3 1.0 C19 A:EQY301 1.3 17.5 1.0 C18 A:EQY301 2.3 16.5 1.0 C21 A:EQY301 2.4 12.4 1.0 OG B:SER52 3.2 12.9 1.0 N B:LEU65 3.3 13.6 1.0 CD1 B:TYR63 3.4 15.6 1.0 CB B:LEU65 3.5 14.4 1.0 C B:LEU64 3.6 15.2 1.0 C16 A:EQY301 3.6 17.1 1.0 C14 A:EQY301 3.6 15.6 1.0 CE1 B:TYR26 3.7 16.0 1.0 CA B:LEU64 3.7 22.4 1.0 CE1 B:TYR63 3.8 20.5 1.0 N B:LEU64 3.9 15.6 1.0 CG A:PRO228 3.9 15.2 1.0 CA B:LEU65 4.0 16.6 1.0 CB B:SER52 4.0 13.8 1.0 C15 A:EQY301 4.1 16.8 1.0 CD1 B:TYR26 4.2 18.3 1.0 O B:LEU64 4.3 16.1 1.0 C B:TYR63 4.3 19.1 1.0 O B:TYR63 4.4 14.0 1.0 O B:ASP53 4.5 16.7 1.0 CG B:TYR63 4.6 19.5 1.0 F17 A:EQY301 4.7 18.7 1.0 CZ B:TYR26 4.8 17.6 1.0 CG B:LEU65 4.8 16.8 1.0 C13 A:EQY301 4.9 17.8 1.0 CD A:PRO228 4.9 12.8 1.0 O A:HOH528 5.0 27.4 1.0 CB A:PRO228 5.0 14.6 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of Fcrn Bound to Ucb-303


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Fcrn Bound to Ucb-303 within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:28.5 occ:1.00 F17 C:EQY301 0.0 28.5 1.0 C16 C:EQY301 1.4 29.1 1.0 C18 C:EQY301 2.4 27.5 1.0 C15 C:EQY301 2.4 24.2 1.0 OE1 C:GLN34 3.2 30.4 1.0 CZ2 C:TRP29 3.4 26.9 1.0 O D:ASP53 3.6 23.9 1.0 C19 C:EQY301 3.6 28.0 1.0 C14 C:EQY301 3.6 26.4 1.0 O C:HOH407 3.7 27.6 1.0 CH2 C:TRP29 3.7 25.0 1.0 CB D:ASP53 3.7 25.9 1.0 CB D:SER55 3.8 24.1 1.0 CD C:GLN34 3.8 27.1 1.0 C D:ASP53 4.1 31.7 1.0 C21 C:EQY301 4.1 25.1 1.0 NE2 C:GLN34 4.2 28.1 1.0 N D:ASP53 4.2 26.1 1.0 CA D:ASP53 4.2 27.3 1.0 OG D:SER52 4.5 26.7 1.0 OG D:SER55 4.5 30.5 1.0 CB D:SER52 4.6 30.1 1.0 CE2 C:TRP29 4.6 28.7 1.0 CG C:GLN34 4.7 25.6 1.0 F20 C:EQY301 4.7 27.9 1.0 CE1 D:TYR63 4.7 24.6 1.0 N D:SER55 4.8 20.7 1.0 CB C:SER27 4.8 28.5 1.0 CG D:ASP53 4.8 30.7 1.0 CA D:SER55 4.9 21.2 1.0 C13 C:EQY301 4.9 22.1 1.0 OG C:SER27 4.9 27.0 1.0 CB C:GLN34 4.9 29.4 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of Fcrn Bound to Ucb-303


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Fcrn Bound to Ucb-303 within 5.0Å range: probe atom residue distance (Å) B Occ C:F301 b:27.9 occ:1.00 F20 C:EQY301 0.0 27.9 1.0 C19 C:EQY301 1.3 28.0 1.0 C18 C:EQY301 2.4 27.5 1.0 C21 C:EQY301 2.4 25.1 1.0 OG D:SER52 3.3 26.7 1.0 N D:LEU65 3.3 26.3 1.0 CD1 D:TYR63 3.4 28.3 1.0 CB D:LEU65 3.5 26.2 1.0 C D:LEU64 3.6 31.8 1.0 C16 C:EQY301 3.6 29.1 1.0 C14 C:EQY301 3.6 26.4 1.0 CE1 D:TYR26 3.7 20.7 1.0 CA D:LEU64 3.8 31.7 1.0 CE1 D:TYR63 3.8 24.6 1.0 CG C:PRO228 3.9 24.6 1.0 N D:LEU64 3.9 31.8 1.0 CA D:LEU65 4.0 27.4 1.0 C15 C:EQY301 4.1 24.2 1.0 CB D:SER52 4.1 30.1 1.0 CD1 D:TYR26 4.2 24.6 1.0 C D:TYR63 4.3 29.2 1.0 O D:LEU64 4.4 27.6 1.0 O D:TYR63 4.4 31.6 1.0 O D:ASP53 4.6 23.9 1.0 CG D:TYR63 4.6 32.5 1.0 F17 C:EQY301 4.7 28.5 1.0 CZ D:TYR26 4.8 21.4 1.0 CG D:LEU65 4.8 27.1 1.0 C13 C:EQY301 4.9 22.1 1.0 O C:HOH458 4.9 33.9 1.0 CD C:PRO228 5.0 27.1 1.0 CB C:PRO228 5.0 23.2 1.0 OH D:TYR26 5.0 30.2 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