Calcium in PDB 3q2n: Mouse E-Cadherin EC1-2 L175D Mutant

The structure of Mouse E-Cadherin EC1-2 L175D Mutant, PDB code: 3q2n was solved by O.J.Harrison, X.Jin, L.Shapiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.73
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	140.851, 169.493, 131.355, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 22.4

The binding sites of Calcium atom in the Mouse E-Cadherin EC1-2 L175D Mutant (pdb code 3q2n). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Mouse E-Cadherin EC1-2 L175D Mutant, PDB code: 3q2n:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in the Mouse E-Cadherin EC1-2 L175D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mouse E-Cadherin EC1-2 L175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:22.9 occ:1.00 OD1 A:ASP100 2.2 23.1 1.0 OD1 A:ASP103 2.2 16.8 1.0 O A:GLN101 2.3 31.7 1.0 OD1 A:ASP136 2.4 35.5 1.0 OE2 A:GLU69 2.4 20.6 1.0 OE2 A:GLU11 2.5 29.7 1.0 OE1 A:GLU69 2.8 15.7 1.0 CD A:GLU69 2.9 21.6 1.0 CG A:ASP100 3.3 29.9 1.0 CG A:ASP136 3.4 29.1 1.0 CG A:ASP103 3.4 25.0 1.0 C A:GLN101 3.5 32.2 1.0 CD A:GLU11 3.5 29.5 1.0 ND2 A:ASN104 3.7 32.5 1.0 N A:GLN101 3.7 30.7 1.0 OE1 A:GLU11 3.8 31.0 1.0 OD2 A:ASP100 3.9 29.1 1.0 CA A:CA302 3.9 26.6 1.0 CB A:ASP136 4.1 27.0 1.0 OD2 A:ASP103 4.1 20.4 1.0 N A:ASP103 4.1 27.1 1.0 OD2 A:ASP136 4.1 31.6 1.0 CA A:GLN101 4.2 32.5 1.0 CA A:ASP136 4.3 28.0 1.0 CG A:GLU69 4.3 22.2 1.0 NE A:ARG68 4.3 29.4 1.0 CB A:ASP100 4.5 28.3 1.0 N A:ASN102 4.6 31.6 1.0 CB A:ASP103 4.6 25.3 1.0 CA A:ASP100 4.6 28.2 1.0 C A:ASP100 4.7 28.9 1.0 CA A:ASN102 4.8 30.6 1.0 CB A:GLN101 4.8 33.2 1.0 NH2 A:ARG68 4.8 32.0 1.0 CA A:ASP103 4.8 26.5 1.0 CG A:GLU11 4.8 28.7 1.0 CB A:ARG68 4.9 18.6 1.0 N A:ASN104 4.9 27.8 1.0 C A:ASN102 5.0 29.0 1.0 O A:HOH215 5.0 25.5 1.0

Calcium binding site 2 out of 8 in the Mouse E-Cadherin EC1-2 L175D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mouse E-Cadherin EC1-2 L175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:26.6 occ:1.00 O A:HOH214 2.1 22.3 1.0 OE1 A:GLU69 2.1 15.7 1.0 OE1 A:GLU11 2.3 31.0 1.0 O A:HOH215 2.3 25.5 1.0 OD1 A:ASP67 2.4 24.0 1.0 OD2 A:ASP103 2.4 20.4 1.0 CD A:GLU11 3.2 29.5 1.0 OD1 A:ASP103 3.2 16.8 1.0 CG A:ASP103 3.2 25.0 1.0 CG A:ASP67 3.3 26.3 1.0 CD A:GLU69 3.4 21.6 1.0 OE2 A:GLU11 3.7 29.7 1.0 CA A:CA301 3.9 22.9 1.0 OD2 A:ASP67 4.0 28.0 1.0 N A:GLU69 4.1 23.2 1.0 CB A:ASP67 4.1 19.2 1.0 OD1 A:ASN12 4.1 26.1 1.0 O A:HOH333 4.2 35.1 1.0 CA A:ASP67 4.2 20.0 1.0 N A:ARG68 4.2 18.9 1.0 CB A:GLU69 4.2 24.1 1.0 CG A:GLU11 4.3 28.7 1.0 CG A:GLU69 4.3 22.2 1.0 OE2 A:GLU69 4.3 20.6 1.0 ND2 A:ASN104 4.3 32.5 1.0 C A:ASP67 4.4 19.5 1.0 ND2 A:ASN12 4.5 24.4 1.0 CB A:ASP103 4.7 25.3 1.0 CG A:ASN12 4.7 26.4 1.0 CA A:GLU69 4.8 24.7 1.0 CB A:GLU11 5.0 25.6 1.0 CA A:ARG68 5.0 20.1 1.0

Calcium binding site 3 out of 8 in the Mouse E-Cadherin EC1-2 L175D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Mouse E-Cadherin EC1-2 L175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:28.1 occ:1.00 O A:ASN104 2.2 29.8 1.0 O A:ASN143 2.2 31.7 1.0 OD1 A:ASP134 2.4 30.4 1.0 OD1 A:ASN102 2.4 28.9 1.0 OD2 A:ASP134 2.5 33.2 1.0 OD2 A:ASP195 2.5 33.6 1.0 OD2 A:ASP136 2.5 31.6 1.0 CG A:ASP134 2.8 31.9 1.0 C A:ASN104 3.4 30.1 1.0 C A:ASN143 3.4 34.0 1.0 CG A:ASP136 3.5 29.1 1.0 CG A:ASP195 3.5 35.5 1.0 CG A:ASN102 3.6 32.0 1.0 CB A:ASP136 3.9 27.0 1.0 CB A:ASP195 4.0 36.4 1.0 CA A:ASN104 4.2 29.3 1.0 N A:ASN104 4.2 27.8 1.0 CB A:ASP134 4.3 32.0 1.0 ND2 A:ASN102 4.3 34.4 1.0 CA A:ASN143 4.3 35.6 1.0 CB A:ASN143 4.4 36.3 1.0 N A:ALA144 4.4 32.9 1.0 CB A:ASN104 4.5 29.5 1.0 N A:ARG105 4.5 30.9 1.0 CA A:ALA144 4.5 33.5 1.0 OD1 A:ASP195 4.5 32.5 1.0 OD1 A:ASP136 4.6 35.5 1.0 CB A:ASN102 4.8 30.8 1.0 CA A:ASN102 4.8 30.6 1.0 CD A:PRO106 4.8 30.4 1.0 CA A:ARG105 4.8 30.4 1.0 N A:ASP136 4.8 29.2 1.0 CD1 A:LEU201 4.9 42.6 1.0 C A:ARG105 4.9 30.5 1.0 C A:ASN102 5.0 29.0 1.0 N A:PRO106 5.0 30.8 1.0 CA A:ASP136 5.0 28.0 1.0

Calcium binding site 4 out of 8 in the Mouse E-Cadherin EC1-2 L175D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Mouse E-Cadherin EC1-2 L175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca304 b:69.2 occ:1.00 OD1 A:ASP180 2.3 53.5 1.0 OE1 A:GLU182 2.4 49.1 1.0 OE2 A:GLU119 2.6 87.9 1.0 CD A:GLU119 2.9 86.8 1.0 OE1 A:GLU119 3.0 88.8 1.0 CG A:ASP180 3.5 58.8 1.0 CD A:GLU182 3.7 47.6 1.0 O A:HOH235 3.7 30.0 1.0 CG A:GLU119 3.9 82.4 1.0 OD2 A:ASP180 4.3 62.5 1.0 N A:ARG181 4.3 48.3 1.0 N A:GLU182 4.4 48.0 1.0 OE2 A:GLU182 4.4 41.8 1.0 CA A:ASP180 4.5 55.6 1.0 CB A:ASP180 4.5 57.0 1.0 CB A:GLU182 4.6 48.5 1.0 CG A:GLU182 4.6 48.0 1.0 OD1 A:ASP213 4.6 75.5 1.0 C A:ASP180 4.7 52.0 1.0 CB A:GLU119 5.0 79.3 1.0

Calcium binding site 5 out of 8 in the Mouse E-Cadherin EC1-2 L175D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Mouse E-Cadherin EC1-2 L175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:18.1 occ:1.00 OD1 B:ASP100 2.2 16.7 1.0 OE2 B:GLU69 2.3 17.1 1.0 OD1 B:ASP103 2.3 21.2 1.0 O B:GLN101 2.4 18.9 1.0 OE2 B:GLU11 2.4 23.1 1.0 OD1 B:ASP136 2.5 17.8 1.0 OE1 B:GLU69 2.7 19.4 1.0 CD B:GLU69 2.8 22.4 1.0 CG B:ASP103 3.3 19.7 1.0 CG B:ASP100 3.4 22.0 1.0 CD B:GLU11 3.4 22.2 1.0 CG B:ASP136 3.5 19.9 1.0 C B:GLN101 3.6 20.9 1.0 OE1 B:GLU11 3.7 24.0 1.0 OD2 B:ASP103 3.7 16.3 1.0 N B:GLN101 3.8 21.4 1.0 ND2 B:ASN104 3.9 27.4 1.0 CA B:CA302 3.9 22.3 1.0 OD2 B:ASP100 4.0 25.8 1.0 N B:ASP103 4.1 16.1 1.0 CB B:ASP136 4.1 20.1 1.0 CA B:GLN101 4.3 22.6 1.0 CA B:ASP136 4.3 20.5 1.0 CG B:GLU69 4.4 21.4 1.0 OD2 B:ASP136 4.4 22.7 1.0 NE B:ARG68 4.4 30.2 1.0 CB B:ASP103 4.6 16.5 1.0 CB B:ASP100 4.6 21.9 1.0 CA B:ASP100 4.6 21.0 1.0 C B:ASP100 4.6 21.7 1.0 N B:ASN102 4.7 18.5 1.0 CG B:GLU11 4.8 23.6 1.0 NH2 B:ARG68 4.8 24.9 1.0 CA B:ASP103 4.8 17.8 1.0 CA B:ASN102 4.9 16.7 1.0 CB B:GLN101 4.9 24.5 1.0 O B:HOH222 5.0 14.2 1.0 CB B:ARG68 5.0 25.0 1.0

Calcium binding site 6 out of 8 in the Mouse E-Cadherin EC1-2 L175D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Mouse E-Cadherin EC1-2 L175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:22.3 occ:1.00 OD2 B:ASP103 2.1 16.3 1.0 O B:HOH225 2.1 24.1 1.0 OE1 B:GLU69 2.2 19.4 1.0 OD1 B:ASP67 2.2 23.6 1.0 O B:HOH222 2.3 14.2 1.0 OE1 B:GLU11 2.5 24.0 1.0 CG B:ASP103 3.1 19.7 1.0 CG B:ASP67 3.4 29.6 1.0 OD1 B:ASP103 3.4 21.2 1.0 CD B:GLU69 3.4 22.4 1.0 CD B:GLU11 3.4 22.2 1.0 OE2 B:GLU11 3.8 23.1 1.0 CA B:CA301 3.9 18.1 1.0 O B:HOH327 4.0 32.9 1.0 N B:ARG68 4.1 24.8 1.0 N B:GLU69 4.1 24.2 1.0 CB B:GLU69 4.2 22.0 1.0 OD1 B:ASN12 4.2 20.2 1.0 CB B:ASP67 4.2 26.3 1.0 CA B:ASP67 4.2 25.8 1.0 OE2 B:GLU69 4.3 17.1 1.0 OD2 B:ASP67 4.3 29.7 1.0 CG B:GLU69 4.3 21.4 1.0 C B:ASP67 4.4 25.7 1.0 ND2 B:ASN104 4.5 27.4 1.0 CB B:ASP103 4.5 16.5 1.0 ND2 B:ASN12 4.6 22.4 1.0 O B:HOH326 4.7 29.1 1.0 CG B:GLU11 4.7 23.6 1.0 CA B:GLU69 4.8 23.1 1.0 CG B:ASN12 4.9 28.6 1.0 CB B:GLU11 5.0 22.0 1.0

Calcium binding site 7 out of 8 in the Mouse E-Cadherin EC1-2 L175D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Mouse E-Cadherin EC1-2 L175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:20.5 occ:1.00 O B:ASN143 2.2 14.9 1.0 OD2 B:ASP134 2.3 32.2 1.0 O B:ASN104 2.3 23.3 1.0 OD1 B:ASN102 2.4 17.0 1.0 OD2 B:ASP195 2.4 11.1 1.0 OD2 B:ASP136 2.4 22.7 1.0 OD1 B:ASP134 2.6 32.1 1.0 CG B:ASP134 2.8 30.3 1.0 CG B:ASP195 3.4 17.2 1.0 CG B:ASP136 3.5 19.9 1.0 C B:ASN143 3.5 15.9 1.0 C B:ASN104 3.5 23.2 1.0 CG B:ASN102 3.6 18.8 1.0 CB B:ASP136 3.9 20.1 1.0 CB B:ASP195 3.9 15.2 1.0 ND2 B:ASN102 4.1 20.4 1.0 N B:ASN104 4.3 21.1 1.0 CA B:ASN104 4.3 22.5 1.0 CB B:ASP134 4.3 24.8 1.0 CB B:ASN143 4.3 16.4 1.0 CA B:ASN143 4.3 16.2 1.0 OD1 B:ASP195 4.4 22.0 1.0 N B:ALA144 4.4 14.0 1.0 CB B:ASN104 4.5 22.6 1.0 OD1 B:ASP136 4.5 17.8 1.0 CA B:ALA144 4.6 13.7 1.0 N B:ARG105 4.6 22.6 1.0 CD1 B:LEU201 4.7 27.2 1.0 CB B:ASN102 4.7 15.3 1.0 CD B:PRO106 4.7 19.6 1.0 CA B:ASN102 4.8 16.7 1.0 N B:ASP136 4.9 22.2 1.0 CA B:ARG105 4.9 23.3 1.0 N B:PRO106 5.0 20.2 1.0 C B:ASN102 5.0 16.3 1.0

Calcium binding site 8 out of 8 in the Mouse E-Cadherin EC1-2 L175D Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Mouse E-Cadherin EC1-2 L175D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca304 b:60.9 occ:1.00 OE2 B:GLU119 2.1 43.5 1.0 OD1 B:ASP180 2.4 31.6 1.0 O B:HOH333 2.5 35.9 1.0 OE1 B:GLU182 2.6 36.4 1.0 CD B:GLU119 3.0 41.2 1.0 OE1 B:GLU119 3.2 38.9 1.0 CG B:ASP180 3.4 32.4 1.0 O B:HOH290 3.6 33.4 1.0 CD B:GLU182 3.8 35.1 1.0 OD2 B:ASP180 4.0 40.4 1.0 CG B:GLU119 4.2 39.3 1.0 CB B:ASP180 4.4 30.2 1.0 N B:ARG181 4.4 23.7 1.0 OD1 B:ASP213 4.5 39.3 1.0 CA B:ASP180 4.6 28.8 1.0 OE2 B:GLU182 4.6 35.8 1.0 N B:GLU182 4.6 27.1 1.0 CB B:GLU182 4.7 29.6 1.0 C B:ASP180 4.8 26.5 1.0 CG B:GLU182 4.8 32.0 1.0

O.J.Harrison, X.Jin, S.Hong, F.Bahna, G.Ahlsen, J.Brasch, Y.Wu, J.Vendome, K.Felsovalyi, C.M.Hampton, R.B.Troyanovsky, A.Ben-Shaul, J.Frank, S.M.Troyanovsky, L.Shapiro, B.Honig. The Extracellular Architecture of Adherens Junctions Revealed By Crystal Structures of Type I Cadherins. Structure V. 19 244 2011.
ISSN: ISSN 0969-2126
PubMed: 21300292
DOI: 10.1016/J.STR.2010.11.016