Fluorine in PDB 6eyk: E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355

The structure of E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355, PDB code: 6eyk was solved by R.P.Jakob, P.Zihlmann, R.C.Preston, N.Varga, B.Ernst, T.Maier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.63 / 2.21
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.520, 73.080, 52.450, 90.00, 94.19, 90.00
R / Rfree (%)	22.9 / 24.5

The structure of E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Fluorine atom in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355 (pdb code 6eyk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355, PDB code: 6eyk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355 within 5.0Å range: probe atom residue distance (Å) B Occ A:F308 b:98.2 occ:1.00 FBQ A:C5K308 0.0 98.2 1.0 CBN A:C5K308 1.4 98.5 1.0 FBP A:C5K308 2.2 98.2 1.0 FBO A:C5K308 2.2 1.0 1.0 CAZ A:C5K308 2.4 95.1 1.0 OAY A:C5K308 2.7 93.4 1.0 OBB A:C5K308 2.9 93.9 1.0 ND2 A:ASN82 3.0 0.5 1.0 CBA A:C5K308 3.1 93.7 1.0 OE1 A:GLU80 3.4 0.6 1.0 NH2 A:ARG84 3.5 0.1 1.0 CZ A:ARG84 3.7 0.5 1.0 NH1 A:ARG84 3.7 0.2 1.0 CAX A:C5K308 4.1 94.7 1.0 CG A:ASN82 4.2 0.9 1.0 CBC A:C5K308 4.4 93.6 1.0 CD A:GLU80 4.5 0.9 1.0 NE A:ARG84 4.5 0.2 1.0 CBE A:C5K308 4.6 93.3 1.0 OD1 A:ASN82 4.7 86.7 1.0 OE2 A:GLU80 4.8 93.6 1.0

Fluorine binding site 2 out of 3 in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355 within 5.0Å range: probe atom residue distance (Å) B Occ A:F308 b:1.0 occ:1.00 FBO A:C5K308 0.0 1.0 1.0 CBN A:C5K308 1.4 98.5 1.0 FBP A:C5K308 2.2 98.2 1.0 FBQ A:C5K308 2.2 98.2 1.0 CAZ A:C5K308 2.4 95.1 1.0 CBA A:C5K308 3.0 93.7 1.0 O4 A:C5K308 3.2 97.4 1.0 OBB A:C5K308 3.4 93.9 1.0 OE1 A:GLU80 3.5 0.6 1.0 OAY A:C5K308 3.6 93.4 1.0 OH A:TYR94 4.1 98.5 1.0 O5 A:C5K308 4.2 99.8 1.0 NH2 A:ARG97 4.4 96.5 1.0 C2 A:C5K308 4.4 0.3 1.0 CBC A:C5K308 4.5 93.6 1.0 O1 A:C5K308 4.5 99.2 1.0 C4 A:C5K308 4.5 99.7 1.0 C1 A:C5K308 4.6 0.0 1.0 CD A:GLU80 4.6 0.9 1.0 ND2 A:ASN82 4.8 0.5 1.0 CAX A:C5K308 4.8 94.7 1.0 C3 A:C5K308 4.9 0.8 1.0 C5 A:C5K308 4.9 99.4 1.0

Fluorine binding site 3 out of 3 in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355 within 5.0Å range: probe atom residue distance (Å) B Occ A:F308 b:98.2 occ:1.00 FBP A:C5K308 0.0 98.2 1.0 CBN A:C5K308 1.3 98.5 1.0 FBO A:C5K308 2.2 1.0 1.0 FBQ A:C5K308 2.2 98.2 1.0 CAZ A:C5K308 2.3 95.1 1.0 OAY A:C5K308 2.7 93.4 1.0 O1 A:C5K308 3.3 99.2 1.0 NH2 A:ARG84 3.6 0.1 1.0 CBA A:C5K308 3.7 93.7 1.0 C2 A:C5K308 3.9 0.3 1.0 C1 A:C5K308 4.0 0.0 1.0 CAX A:C5K308 4.0 94.7 1.0 O5 A:C5K308 4.2 99.8 1.0 O4 A:C5K308 4.3 97.4 1.0 OBB A:C5K308 4.3 93.9 1.0 CAQ A:C5K308 4.4 99.8 1.0 OAW A:C5K308 4.4 97.5 1.0 CAV A:C5K308 4.5 98.8 1.0 CZ A:ARG84 4.5 0.5 1.0 O2 A:C5K308 4.7 0.8 1.0 NH1 A:ARG84 4.8 0.2 1.0 CBC A:C5K308 4.8 93.6 1.0

N.Varga, P.Zihlmann, R.C.Preston, R.P.Jakob, T.Maier, B.Ernst. E-Selectin Lectin with Different Glycomimetic Ligands To Be Published.