Calcium 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:

Fluorine

(F)

3 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand NV355, PDB code: 6eyk:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 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 Calcium with other atoms in the Ca 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:Ca309 b:79.4 occ:1.00 OD1 A:ASP106 2.2 84.3 1.0 OBD A:C5K308 2.3 94.8 1.0 OE1 A:GLU88 2.4 84.7 1.0 OD1 A:ASN82 2.5 86.7 1.0 O A:ASP106 2.5 79.7 1.0 OD1 A:ASN105 2.6 80.2 1.0 OBB A:C5K308 2.6 93.9 1.0 OE2 A:GLU80 2.7 93.6 1.0 CG A:ASP106 3.2 82.4 1.0 CBC A:C5K308 3.3 93.6 1.0 CD A:GLU88 3.4 0.2 1.0 CBA A:C5K308 3.4 93.7 1.0 CG A:ASN82 3.5 0.9 1.0 C A:ASP106 3.5 76.3 1.0 CG A:ASN105 3.7 90.0 1.0 CD A:GLU80 3.7 0.9 1.0 OE2 A:GLU88 3.7 0.6 1.0 N A:ASP106 3.8 72.4 1.0 CBE A:C5K308 3.8 93.3 1.0 OD2 A:ASP106 4.0 89.5 1.0 CA A:ASP106 4.0 70.5 1.0 ND2 A:ASN105 4.0 85.4 1.0 ND2 A:ASN82 4.1 0.5 1.0 CB A:ASP106 4.2 72.8 1.0 N A:ASN82 4.2 88.1 1.0 OE1 A:GLU80 4.2 0.6 1.0 N A:ASN83 4.3 90.2 1.0 OBF A:C5K308 4.5 92.8 1.0 CG A:GLU88 4.6 95.8 1.0 OE2 A:GLU107 4.7 0.3 1.0 C A:ASN105 4.7 73.2 1.0 N A:GLU107 4.7 72.2 1.0 CB A:ASN82 4.7 92.2 1.0 CA A:ASN82 4.8 92.2 1.0 CB A:GLU88 4.8 84.0 1.0 CAZ A:C5K308 4.8 95.1 1.0 N A:ARG84 4.9 99.4 1.0 CG A:GLU80 4.9 95.5 1.0 C A:ASN82 4.9 96.7 1.0 CB A:ASN105 4.9 73.1 1.0 CA A:ASN83 5.0 89.7 1.0

Calcium binding site 2 out of 2 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 Calcium with other atoms in the Ca 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:Ca310 b:95.3 occ:1.00 O A:GLY168 2.6 86.0 1.0 O A:HOH427 2.8 70.8 1.0 O A:HOH453 3.1 83.9 1.0 C A:GLY168 3.6 84.7 1.0 N A:GLY168 4.3 81.3 1.0 OD1 A:ASP190 4.4 87.8 1.0 CB A:SER169 4.4 86.3 1.0 OD2 A:ASP190 4.5 97.4 1.0 CA A:GLY168 4.5 80.3 1.0 N A:SER169 4.5 80.5 1.0 CA A:SER169 4.6 80.5 1.0 OE2 A:GLU166 4.8 0.9 1.0 CG A:ASP190 4.9 87.6 1.0 CB A:SER164 4.9 93.2 1.0 O A:PRO165 5.0 93.0 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.