Calcium in PDB 6eyi: E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand BW69669

The structure of E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand BW69669, PDB code: 6eyi 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)	20.76 / 2.04
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.590, 72.940, 52.520, 90.00, 94.16, 90.00
R / Rfree (%)	22.4 / 23.7

The binding sites of Calcium atom in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand BW69669 (pdb code 6eyi). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand BW69669, PDB code: 6eyi:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand BW69669


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 BW69669 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca309 b:69.4 occ:1.00 OE1 A:GLU88 2.2 77.7 1.0 OD1 A:ASP106 2.3 72.5 1.0 O A:ASP106 2.5 65.1 1.0 OD1 A:ASN82 2.5 75.7 1.0 OBF A:C4Z308 2.6 78.2 1.0 OBG A:C4Z308 2.7 76.8 1.0 OD1 A:ASN105 2.8 75.1 1.0 OE2 A:GLU80 2.9 76.7 1.0 CD A:GLU88 3.2 92.1 1.0 CG A:ASP106 3.2 70.1 1.0 C A:ASP106 3.5 63.4 1.0 CBD A:C4Z308 3.5 77.1 1.0 CG A:ASN82 3.6 89.5 1.0 OE2 A:GLU88 3.6 84.3 1.0 CBC A:C4Z308 3.6 76.6 1.0 CG A:ASN105 3.8 82.4 1.0 N A:ASP106 3.8 59.4 1.0 CD A:GLU80 3.9 95.8 1.0 OD2 A:ASP106 3.9 71.9 1.0 CAZ A:C4Z308 4.0 77.7 1.0 CA A:ASP106 4.0 57.8 1.0 ND2 A:ASN82 4.1 82.0 1.0 CB A:ASP106 4.1 59.6 1.0 ND2 A:ASN105 4.2 77.6 1.0 N A:ASN83 4.2 75.9 1.0 N A:ASN82 4.3 76.2 1.0 OE1 A:GLU80 4.3 96.4 1.0 CG A:GLU88 4.5 81.8 1.0 OBE A:C4Z308 4.6 75.4 1.0 N A:GLU107 4.6 59.8 1.0 CB A:GLU88 4.7 71.3 1.0 N A:ARG84 4.7 83.9 1.0 CB A:ASN82 4.7 78.4 1.0 C A:ASN105 4.8 61.0 1.0 CA A:ASN82 4.8 78.6 1.0 CA A:ASN83 4.9 75.7 1.0 C A:ASN82 4.9 82.1 1.0

Calcium binding site 2 out of 3 in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand BW69669


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 BW69669 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca310 b:0.0 occ:1.00 OD2 A:ASP89 3.0 83.0 1.0 OD1 A:ASP87 3.3 0.2 1.0 O A:HOH481 3.9 87.9 1.0 CG A:ASP89 4.0 72.9 1.0 OD1 A:ASP89 4.2 72.4 1.0 CG A:ASP87 4.3 0.8 1.0 O A:HOH523 4.4 74.2 1.0 CA A:ASP87 4.8 80.2 1.0 CB A:ASP87 4.8 83.8 1.0 O A:HOH452 5.0 77.7 1.0

Calcium binding site 3 out of 3 in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand BW69669


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Ligand BW69669 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca311 b:76.8 occ:1.00 O A:GLY168 2.4 72.7 1.0 O A:HOH429 3.0 65.0 1.0 C A:GLY168 3.5 72.6 1.0 CB A:SER169 4.3 75.9 1.0 OD1 A:ASP190 4.3 74.1 1.0 N A:GLY168 4.3 69.7 1.0 N A:SER169 4.4 69.2 1.0 CA A:GLY168 4.4 69.4 1.0 CA A:SER169 4.5 69.3 1.0 OD2 A:ASP190 4.5 81.1 1.0 O A:HOH435 4.5 59.2 1.0 CB A:SER164 4.8 79.2 1.0 CG A:ASP190 4.9 74.0 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.