Calcium in PDB 3ff8: Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin

The structure of Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin, PDB code: 3ff8 was solved by Y.Li, R.A.Mariuzza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.776, 90.526, 107.593, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 25.3

The binding sites of Calcium atom in the Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin (pdb code 3ff8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin, PDB code: 3ff8:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:28.8 occ:0.50 OD1 A:ASP67 2.0 42.1 1.0 OE2 A:GLU11 2.6 43.0 1.0 O A:HOH246 2.6 39.4 1.0 CG A:GLU69 2.7 66.4 1.0 OE2 A:GLU69 2.7 66.4 1.0 CD A:GLU69 3.1 66.4 1.0 CG A:ASP67 3.2 42.1 1.0 CD A:GLU11 3.4 43.0 1.0 OE1 A:GLU11 3.7 43.0 1.0 CA A:CA102 3.8 28.8 0.5 OD2 A:ASP67 3.9 42.1 1.0 CB A:GLU69 4.0 66.4 1.0 N A:GLU69 4.0 46.9 1.0 N A:ARG68 4.1 34.7 1.0 CA A:ASP67 4.2 32.6 1.0 CB A:ASP67 4.2 42.1 1.0 OE1 A:GLU69 4.4 66.4 1.0 C A:ASP67 4.4 32.6 1.0 OD1 A:ASN12 4.5 40.0 1.0 ND2 A:ASN12 4.6 40.0 1.0 CA A:GLU69 4.6 46.9 1.0 CG A:GLU11 4.7 43.0 1.0 CA A:ARG68 4.9 34.7 1.0 CG A:ASN12 5.0 40.0 1.0

Calcium binding site 2 out of 3 in the Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:28.8 occ:0.50 OE2 A:GLU69 2.0 66.4 1.0 OD2 A:ASP100 2.4 69.2 1.0 OE1 A:GLU11 2.4 43.0 1.0 OD1 A:ASP100 2.5 69.2 1.0 CG A:ASP100 2.6 69.2 1.0 CD A:GLU69 3.1 66.4 1.0 CD A:GLU11 3.5 43.0 1.0 OE1 A:GLU69 3.7 66.4 1.0 OE2 A:GLU11 3.8 43.0 1.0 CA A:CA101 3.8 28.8 0.5 OXT A:ASP100 4.0 69.2 1.0 CB A:ASP100 4.0 69.2 1.0 CG A:GLU69 4.3 66.4 1.0 CA A:ASP100 4.5 60.8 1.0 C A:ASP100 4.7 60.8 1.0 CG A:GLU11 4.8 43.0 1.0 CB A:ARG68 4.8 59.1 1.0

Calcium binding site 3 out of 3 in the Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Nk Cell Receptor KLRG1 Bound to E-Cadherin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca101 b:28.8 occ:0.50 OE1 B:GLU69 2.2 62.3 1.0 OE1 B:GLU11 2.5 37.3 1.0 OD2 B:ASP67 2.5 50.3 1.0 CD B:GLU11 3.3 37.3 1.0 CD B:GLU69 3.5 62.3 1.0 CG B:ASP67 3.5 50.3 1.0 OE2 B:GLU11 3.5 37.3 1.0 O B:HOH112 4.0 33.8 1.0 N B:ARG68 4.2 43.7 1.0 OD1 B:ASP67 4.2 50.3 1.0 OD1 B:ASN12 4.2 39.0 1.0 OE2 B:GLU69 4.3 62.3 1.0 CA B:ASP67 4.3 35.6 1.0 N B:GLU69 4.3 43.1 1.0 CG B:GLU69 4.3 62.3 1.0 CB B:ASP67 4.4 50.3 1.0 ND2 B:ASN12 4.4 39.0 1.0 CG B:GLU11 4.5 37.3 1.0 CB B:GLU69 4.5 62.3 1.0 C B:ASP67 4.6 35.6 1.0 CG B:ASN12 4.8 39.0 1.0 CB B:ARG68 4.8 86.5 1.0 CA B:ARG68 5.0 43.7 1.0

Y.Li, M.Hofmann, Q.Wang, L.Teng, L.K.Chlewicki, H.Pircher, R.A.Mariuzza. Structure of Natural Killer Cell Receptor KLRG1 Bound to E-Cadherin Reveals Basis For Mhc-Independent Missing Self Recognition. Immunity V. 31 35 2009.
ISSN: ISSN 1074-7613
PubMed: 19604491
DOI: 10.1016/J.IMMUNI.2009.04.019