Calcium in PDB 4csy: E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Sialyl Lewis X

The structure of E-Selectin Lectin, Egf-Like and Two Scr Domains Complexed with Sialyl Lewis X, PDB code: 4csy 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)	28.32 / 2.41
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	52.290, 58.670, 58.870, 76.03, 86.28, 86.31
R / Rfree (%)	21.48 / 25.28

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


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 Sialyl Lewis X within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca306 b:82.9 occ:1.00 O3 A:FUC304 2.1 93.4 1.0 OD1 A:ASP106 2.3 89.2 1.0 OD1 A:ASN82 2.5 0.5 1.0 OE1 A:GLU88 2.5 69.4 1.0 O A:ASP106 2.5 82.6 1.0 O4 A:FUC304 2.6 97.9 1.0 OD1 A:ASN105 2.6 1.0 1.0 OE1 A:GLU80 2.9 0.9 1.0 C3 A:FUC304 3.1 97.9 1.0 C4 A:FUC304 3.3 99.1 1.0 CG A:ASP106 3.3 90.8 1.0 CG A:ASN82 3.4 0.3 1.0 CD A:GLU88 3.5 93.8 1.0 C A:ASP106 3.6 80.9 1.0 CG A:ASN105 3.7 0.4 1.0 CD A:GLU80 3.7 0.1 1.0 N A:ASP106 3.8 78.5 1.0 OE2 A:GLU88 3.8 0.3 1.0 C2 A:FUC304 3.9 0.6 1.0 ND2 A:ASN82 3.9 0.5 1.0 OE2 A:GLU80 4.0 1.0 1.0 OD2 A:ASP106 4.0 96.0 1.0 CA A:ASP106 4.0 78.3 1.0 ND2 A:ASN105 4.1 93.0 1.0 CB A:ASP106 4.2 81.2 1.0 N A:ASN82 4.2 89.9 1.0 N A:ASN83 4.3 88.4 1.0 O2 A:FUC304 4.5 0.6 1.0 CB A:ASN82 4.6 86.7 1.0 C A:ASN105 4.7 79.0 1.0 OE1 A:GLU107 4.7 0.3 1.0 N A:GLU107 4.7 72.8 1.0 CA A:ASN82 4.7 89.4 1.0 C5 A:FUC304 4.7 1.0 1.0 CG A:GLU88 4.8 78.9 1.0 CG A:GLU80 4.9 0.1 1.0 CB A:ASN105 4.9 77.1 1.0 C A:ASN82 4.9 95.2 1.0 N A:ARG84 5.0 90.1 1.0 CB A:GLU88 5.0 76.2 1.0

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


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 Sialyl Lewis X within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca306 b:82.7 occ:1.00 O3 B:FUC304 2.1 99.5 1.0 OD1 B:ASP106 2.3 94.2 1.0 OD1 B:ASN82 2.5 0.1 1.0 OE1 B:GLU88 2.5 81.8 1.0 O B:ASP106 2.6 80.5 1.0 O4 B:FUC304 2.6 0.1 1.0 OD1 B:ASN105 2.6 89.6 1.0 OE1 B:GLU80 3.0 91.1 1.0 C3 B:FUC304 3.1 1.0 1.0 C4 B:FUC304 3.3 0.1 1.0 CG B:ASP106 3.3 92.3 1.0 CG B:ASN82 3.5 0.3 1.0 CD B:GLU88 3.5 0.5 1.0 C B:ASP106 3.6 79.4 1.0 CG B:ASN105 3.6 92.0 1.0 C2 B:FUC304 3.9 0.5 1.0 CD B:GLU80 3.9 0.8 1.0 N B:ASP106 3.9 75.1 1.0 OE2 B:GLU88 4.0 0.0 1.0 ND2 B:ASN105 4.0 81.4 1.0 OD2 B:ASP106 4.0 94.5 1.0 ND2 B:ASN82 4.1 98.3 1.0 CA B:ASP106 4.2 74.7 1.0 OE2 B:GLU80 4.2 0.3 1.0 N B:ASN82 4.2 89.5 1.0 CB B:ASP106 4.3 78.1 1.0 N B:ASN83 4.3 86.0 1.0 O2 B:FUC304 4.5 0.3 1.0 CB B:ASN82 4.6 85.8 1.0 OE1 B:GLU107 4.7 0.3 1.0 C B:ASN105 4.7 75.5 1.0 CA B:ASN82 4.7 88.6 1.0 N B:GLU107 4.7 74.4 1.0 C5 B:FUC304 4.7 0.3 1.0 CG B:GLU88 4.8 90.3 1.0 N B:ARG84 4.8 91.3 1.0 C B:ASN82 4.9 91.7 1.0 CB B:GLU88 4.9 85.6 1.0 CB B:ASN105 4.9 74.3 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.