Fluorine in PDB 5l4u: Crystal Structure of Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside

The structure of Crystal Structure of Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside, PDB code: 5l4u was solved by R.P.Jakob, P.Zihlmann, S.Rabbani, T.Maier, B.Ernst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.65 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.550, 68.300, 96.010, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 23.6

The binding sites of Fluorine atom in the Crystal Structure of Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside (pdb code 5l4u). 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 Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside, PDB code: 5l4u:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside


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 Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:31.9 occ:1.00 F2 A:6KS301 0.0 31.9 1.0 C2 A:6KS301 1.3 28.6 1.0 C1 A:6KS301 2.2 28.0 1.0 C3 A:6KS301 2.4 27.8 1.0 O5 A:6KS301 2.8 26.2 1.0 O3 A:6KS301 2.9 29.7 1.0 N A:PHE1 2.9 20.4 1.0 C4 A:6KS301 2.9 26.1 1.0 O A:HOH459 3.2 23.5 1.0 C5 A:6KS301 3.4 25.8 1.0 CG2 A:ILE13 3.5 27.3 1.0 O1 A:6KS301 3.5 28.7 1.0 O A:PHE1 3.6 25.5 1.0 CG1 A:ILE13 3.8 26.7 1.0 CA A:PHE1 3.8 19.4 1.0 CB A:PHE1 3.9 20.1 1.0 CB A:ILE13 4.0 27.6 1.0 OE1 A:GLN133 4.2 30.3 1.0 C A:PHE1 4.2 24.3 1.0 O4 A:6KS301 4.2 25.3 1.0 O6 A:6KS301 4.4 24.8 1.0 CA A:ILE13 4.4 25.4 1.0 NE2 A:GLN133 4.5 19.4 1.0 CE2 A:PHE142 4.5 32.4 1.0 C6 A:6KS301 4.5 24.3 1.0 CD1 A:ILE13 4.5 25.8 1.0 OD2 A:ASP140 4.6 27.4 1.0 CAL A:6KS301 4.7 29.3 1.0 CD A:GLN133 4.7 33.4 1.0 CD2 A:PHE142 4.8 29.0 1.0 O A:HOH549 4.9 45.9 1.0 N A:GLY14 4.9 26.3 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside


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 Fimh Lectin Domain in Complex with 2-Fluoro- Heptylmannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:31.5 occ:1.00 F2 B:6KS301 0.0 31.5 1.0 C2 B:6KS301 1.3 26.5 1.0 C1 B:6KS301 2.3 24.8 1.0 C3 B:6KS301 2.3 27.0 1.0 O3 B:6KS301 2.7 30.2 1.0 O5 B:6KS301 2.8 25.5 1.0 C4 B:6KS301 2.9 24.8 1.0 N B:PHE1 2.9 22.9 1.0 O B:HOH424 3.1 21.4 1.0 C5 B:6KS301 3.4 24.5 1.0 CG2 B:ILE13 3.4 24.5 1.0 O1 B:6KS301 3.5 26.8 1.0 O B:PHE1 3.7 25.5 1.0 CG1 B:ILE13 3.7 23.6 1.0 CA B:PHE1 3.8 21.7 1.0 CB B:PHE1 3.9 22.9 1.0 CB B:ILE13 4.0 24.5 1.0 O4 B:6KS301 4.2 23.5 1.0 C B:PHE1 4.2 25.0 1.0 OE1 B:GLN133 4.2 27.3 1.0 O6 B:6KS301 4.4 22.3 1.0 CA B:ILE13 4.4 22.2 1.0 CE2 B:PHE142 4.4 30.1 1.0 NE2 B:GLN133 4.5 21.8 1.0 CD1 B:ILE13 4.5 28.1 1.0 C6 B:6KS301 4.5 21.9 1.0 OD2 B:ASP140 4.6 26.0 1.0 CAL B:6KS301 4.7 25.3 1.0 CD2 B:PHE142 4.7 26.6 1.0 O B:HOH427 4.8 59.3 1.0 CD B:GLN133 4.8 32.8 1.0 N B:GLY14 4.9 23.6 1.0

P.Zihlmann, X.Jiang, C.P.Sager, B.Fiege, R.P.Jakob, S.Siegrist, A.Zalewski, S.Rabbani, D.Eris, M.Silbermann, L.Pang, T.Muhlethaler, T.Sharpe, T.Maier, B.Ernst. High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes It Possible To Be Published.