Calcium in PDB 4c16: E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Antagonist

The structure of E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Antagonist, PDB code: 4c16 was solved by R.C.Preston, R.P.Jakob, F.P.C.Binder, C.P.Sager, B.Ernst, T.Maier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.81 / 1.93
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	52.582, 56.917, 59.684, 74.40, 87.11, 88.26
R / Rfree (%)	18.03 / 23.24

The binding sites of Calcium atom in the E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Glycomimetic Antagonist (pdb code 4c16). 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 Antagonist, PDB code: 4c16:
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 Antagonist


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 Antagonist within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:41.2 occ:1.00 OD1 A:ASP106 2.3 45.3 1.0 O3 A:FUC305 2.3 39.4 1.0 OD1 A:ASN82 2.5 39.1 1.0 OD1 A:ASN105 2.5 39.4 1.0 OE1 A:GLU88 2.5 39.5 1.0 O A:ASP106 2.6 34.8 1.0 O4 A:FUC305 2.6 37.6 1.0 OE1 A:GLU80 2.9 46.7 1.0 C3 A:FUC305 3.3 38.7 1.0 CG A:ASP106 3.4 44.5 1.0 C4 A:FUC305 3.4 39.4 1.0 CG A:ASN82 3.5 50.5 1.0 CD A:GLU88 3.5 37.8 1.0 CG A:ASN105 3.6 46.9 1.0 C A:ASP106 3.6 35.6 1.0 CD A:GLU80 3.7 53.9 1.0 N A:ASP106 3.8 34.2 1.0 OE2 A:GLU88 3.8 40.9 1.0 C2 A:FUC305 3.9 40.6 1.0 OE2 A:GLU80 3.9 42.3 1.0 ND2 A:ASN82 3.9 44.0 1.0 ND2 A:ASN105 4.0 43.4 1.0 CA A:ASP106 4.1 34.0 1.0 OD2 A:ASP106 4.1 43.2 1.0 N A:ASN82 4.2 46.9 1.0 CB A:ASP106 4.3 35.2 1.0 N A:ASN83 4.4 48.4 1.0 O2 A:FUC305 4.5 41.4 1.0 CB A:ASN82 4.6 40.2 1.0 OE1 A:GLU107 4.7 51.7 1.0 C A:ASN105 4.7 36.8 1.0 CG A:GLU88 4.7 34.9 1.0 CG A:GLU80 4.8 39.1 1.0 N A:GLU107 4.8 30.6 1.0 CA A:ASN82 4.8 46.4 1.0 CB A:ASN105 4.8 34.0 1.0 C5 A:FUC305 4.8 42.2 1.0 N A:ARG84 4.9 44.4 0.4 N A:ARG84 4.9 44.2 0.6 CB A:GLU88 5.0 37.2 1.0 C A:ASN82 5.0 53.1 1.0

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


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 Antagonist within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:32.4 occ:1.00 OD1 B:ASP106 2.3 31.3 1.0 O3 B:FUC305 2.3 38.3 1.0 OD1 B:ASN82 2.4 35.9 1.0 OE1 B:GLU88 2.5 29.5 1.0 O B:ASP106 2.6 29.8 1.0 OD1 B:ASN105 2.6 38.1 1.0 O4 B:FUC305 2.6 34.3 1.0 OE1 B:GLU80 3.0 40.0 1.0 CG B:ASP106 3.3 34.3 1.0 C3 B:FUC305 3.4 33.4 1.0 CG B:ASN82 3.5 44.0 1.0 C4 B:FUC305 3.5 33.3 1.0 CD B:GLU88 3.5 44.5 1.0 C B:ASP106 3.6 31.2 1.0 CG B:ASN105 3.6 31.4 1.0 C2 B:FUC305 3.8 35.1 1.0 CD B:GLU80 3.8 53.8 1.0 N B:ASP106 4.0 30.4 1.0 OE2 B:GLU88 4.0 48.2 1.0 ND2 B:ASN105 4.0 22.6 1.0 OD2 B:ASP106 4.0 30.4 1.0 ND2 B:ASN82 4.1 37.6 1.0 OE2 B:GLU80 4.1 40.7 1.0 CA B:ASP106 4.2 28.5 1.0 N B:ASN82 4.2 36.7 1.0 CB B:ASP106 4.3 30.4 1.0 N B:ASN83 4.4 39.5 1.0 O2 B:FUC305 4.4 33.1 1.0 OE1 B:GLU107 4.6 32.3 1.0 CB B:ASN82 4.6 33.5 1.0 CG B:GLU88 4.7 45.8 1.0 N B:GLU107 4.7 26.8 1.0 CA B:ASN82 4.7 37.9 1.0 C B:ASN105 4.7 31.1 1.0 N B:ARG84 4.8 40.4 0.5 N B:ARG84 4.8 39.8 0.5 CB B:GLU88 4.9 35.6 1.0 C B:ASN82 4.9 44.2 1.0 C5 B:FUC305 4.9 36.4 1.0 CB B:ASN105 4.9 24.6 1.0

R.C.Preston, R.P.Jakob, F.P.C.Binder, C.P.Sager, B.Ernst, T.Maier. E-Selectin-Ligand Complexes Adopt An Extended High-Affinity Conformation To Be Published.