Fluorine in PDB 5l4y: Crystal Structure of Fimh Lectin Domain in Complex with 4-Fluoro- Heptylmannoside

The structure of Crystal Structure of Fimh Lectin Domain in Complex with 4-Fluoro- Heptylmannoside, PDB code: 5l4y 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)	55.88 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.230, 68.660, 96.170, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.9

The binding sites of Fluorine atom in the Crystal Structure of Fimh Lectin Domain in Complex with 4-Fluoro- Heptylmannoside (pdb code 5l4y). 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 4-Fluoro- Heptylmannoside, PDB code: 5l4y:
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 4-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 4-Fluoro- Heptylmannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:22.4 occ:1.00 F4 A:6K3301 0.0 22.4 1.0 C4 A:6K3301 1.4 22.2 1.0 C3 A:6K3301 2.3 20.8 1.0 C5 A:6K3301 2.4 21.5 1.0 O3 A:6K3301 2.8 23.5 1.0 C6 A:6K3301 3.0 19.2 1.0 ND2 A:ASN135 3.0 17.9 1.0 OD1 A:ASP54 3.1 22.3 1.0 CG2 A:ILE52 3.3 21.3 1.0 O5 A:6K3301 3.6 23.1 1.0 CG A:ASN135 3.6 25.6 1.0 CB A:ASN135 3.6 21.9 1.0 C2 A:6K3301 3.7 20.2 1.0 CD1 A:ILE52 3.8 23.4 1.0 O6 A:6K3301 3.8 19.6 1.0 NE2 A:GLN133 3.9 17.6 1.0 C1 A:6K3301 4.1 21.8 1.0 CG A:ASP54 4.1 24.7 1.0 O2 A:6K3301 4.3 19.7 1.0 CB A:ILE52 4.3 23.2 1.0 O1 A:6K3301 4.4 26.2 1.0 OD2 A:ASP54 4.4 22.9 1.0 CG1 A:ILE52 4.6 22.4 1.0 OD1 A:ASN135 4.7 23.6 1.0 OD2 A:ASP140 4.7 23.4 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Fimh Lectin Domain in Complex with 4-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 4-Fluoro- Heptylmannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:23.1 occ:1.00 F4 B:6K3301 0.0 23.1 1.0 C4 B:6K3301 1.3 20.2 1.0 C3 B:6K3301 2.3 20.1 1.0 C5 B:6K3301 2.4 21.7 1.0 O3 B:6K3301 2.8 26.2 1.0 C6 B:6K3301 3.0 21.0 1.0 ND2 B:ASN135 3.0 20.4 1.0 OD1 B:ASP54 3.1 23.8 1.0 CG2 B:ILE52 3.4 20.5 1.0 O5 B:6K3301 3.6 20.4 1.0 CG B:ASN135 3.6 27.4 1.0 CB B:ASN135 3.7 23.0 1.0 C2 B:6K3301 3.7 20.0 1.0 CD1 B:ILE52 3.7 27.3 1.0 O6 B:6K3301 3.8 20.0 1.0 NE2 B:GLN133 3.9 16.9 1.0 C1 B:6K3301 4.1 21.0 1.0 CG B:ASP54 4.1 23.4 1.0 O2 B:6K3301 4.3 22.3 1.0 CB B:ILE52 4.4 20.8 1.0 O1 B:6K3301 4.4 25.9 1.0 OD2 B:ASP54 4.4 23.8 1.0 CG1 B:ILE52 4.6 21.4 1.0 OD1 B:ASN135 4.7 23.1 1.0 OD2 B:ASP140 4.7 26.5 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.