Calcium in PDB 3q2l: Mouse E-Cadherin EC1-2 V81D Mutant

The structure of Mouse E-Cadherin EC1-2 V81D Mutant, PDB code: 3q2l 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 / 2.70
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	142.708, 168.948, 131.071, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 24.5

The binding sites of Calcium atom in the Mouse E-Cadherin EC1-2 V81D Mutant (pdb code 3q2l). 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 V81D Mutant, PDB code: 3q2l:
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 V81D 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 V81D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca701 b:32.7 occ:1.00 OD1 A:ASP100 2.2 29.6 1.0 OE2 A:GLU69 2.3 33.4 1.0 OD1 A:ASP103 2.3 32.1 1.0 O A:GLN101 2.3 31.4 1.0 OE2 A:GLU11 2.3 37.3 1.0 OD1 A:ASP136 2.5 37.1 1.0 OE1 A:GLU69 2.7 33.4 1.0 CD A:GLU69 2.8 35.2 1.0 CG A:ASP103 3.3 31.5 1.0 CD A:GLU11 3.3 35.0 1.0 CG A:ASP100 3.4 35.4 1.0 CG A:ASP136 3.5 34.8 1.0 C A:GLN101 3.5 33.1 1.0 OE1 A:GLU11 3.6 33.1 1.0 N A:GLN101 3.8 34.5 1.0 OD2 A:ASP103 3.9 26.5 1.0 ND2 A:ASN104 3.9 38.6 1.0 OD2 A:ASP100 4.0 37.4 1.0 N A:ASP103 4.0 31.6 1.0 CA A:CA703 4.1 33.0 1.0 CB A:ASP136 4.1 32.9 1.0 CA A:GLN101 4.3 34.8 1.0 CA A:ASP136 4.3 33.7 1.0 CG A:GLU69 4.3 33.7 1.0 NE A:ARG68 4.4 42.9 1.0 OD2 A:ASP136 4.4 36.2 1.0 CB A:ASP103 4.5 30.8 1.0 N A:ASN102 4.6 32.1 1.0 CB A:ASP100 4.6 35.6 1.0 CA A:ASP100 4.6 35.0 1.0 C A:ASP100 4.7 35.4 1.0 CG A:GLU11 4.7 36.0 1.0 CA A:ASP103 4.7 31.8 1.0 CA A:ASN102 4.8 32.0 1.0 CB A:GLN101 4.9 36.1 1.0 NH2 A:ARG68 4.9 40.3 1.0 C A:ASN102 4.9 31.9 1.0

Calcium binding site 2 out of 8 in the Mouse E-Cadherin EC1-2 V81D 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 V81D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca702 b:33.0 occ:1.00 OD2 A:ASP134 2.2 40.4 1.0 O A:ASN104 2.2 36.6 1.0 O A:ASN143 2.3 27.7 1.0 OD2 A:ASP195 2.3 25.5 1.0 OD2 A:ASP136 2.4 36.2 1.0 OD1 A:ASN102 2.5 33.8 1.0 OD1 A:ASP134 2.7 41.7 1.0 CG A:ASP134 2.8 39.2 1.0 CG A:ASP136 3.4 34.8 1.0 CG A:ASP195 3.4 31.3 1.0 C A:ASN104 3.5 36.2 1.0 C A:ASN143 3.5 28.6 1.0 CG A:ASN102 3.6 32.3 1.0 CB A:ASP136 3.9 32.9 1.0 CB A:ASP195 3.9 30.4 1.0 CA A:ASN104 4.2 35.4 1.0 CB A:ASP134 4.3 35.5 1.0 N A:ASN104 4.3 34.0 1.0 ND2 A:ASN102 4.3 32.7 1.0 CA A:ASN143 4.4 29.3 1.0 CB A:ASN143 4.4 30.3 1.0 CB A:ASN104 4.4 35.8 1.0 OD1 A:ASP195 4.5 32.8 1.0 OD1 A:ASP136 4.5 37.1 1.0 N A:ARG105 4.5 36.2 1.0 N A:ALA144 4.5 27.0 1.0 CA A:ALA144 4.6 26.0 1.0 CA A:ARG105 4.8 36.2 1.0 CA A:ASN102 4.8 32.0 1.0 CB A:ASN102 4.8 31.2 1.0 N A:ASP136 4.8 34.8 1.0 N A:PRO106 4.8 34.6 1.0 CD A:PRO106 4.8 34.0 1.0 C A:ARG105 4.9 35.7 1.0 C A:ASN102 5.0 31.9 1.0 CA A:ASP136 5.0 33.7 1.0

Calcium binding site 3 out of 8 in the Mouse E-Cadherin EC1-2 V81D 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 V81D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca703 b:33.0 occ:1.00 OD1 A:ASP67 2.0 39.0 1.0 OD2 A:ASP103 2.1 26.5 1.0 OE1 A:GLU69 2.2 33.4 1.0 OE1 A:GLU11 2.4 33.1 1.0 O A:HOH217 2.5 21.2 1.0 CG A:ASP103 3.1 31.5 1.0 CG A:ASP67 3.1 41.8 1.0 OD1 A:ASP103 3.4 32.1 1.0 CD A:GLU11 3.4 35.0 1.0 CD A:GLU69 3.4 35.2 1.0 OE2 A:GLU11 3.9 37.3 1.0 CB A:ASP67 4.0 39.4 1.0 OD2 A:ASP67 4.0 42.2 1.0 CA A:CA701 4.1 32.7 1.0 O A:HOH352 4.1 35.1 1.0 CA A:ASP67 4.1 38.7 1.0 CB A:GLU69 4.2 33.8 1.0 O A:HOH351 4.2 34.9 1.0 N A:ARG68 4.2 37.4 1.0 N A:GLU69 4.3 36.4 1.0 OE2 A:GLU69 4.3 33.4 1.0 CG A:GLU69 4.3 33.7 1.0 OD1 A:ASN12 4.3 37.1 1.0 ND2 A:ASN104 4.3 38.6 1.0 C A:ASP67 4.4 38.1 1.0 ND2 A:ASN12 4.5 39.4 1.0 CB A:ASP103 4.5 30.8 1.0 CG A:GLU11 4.7 36.0 1.0 CG A:ASN12 4.9 40.9 1.0 CA A:GLU69 4.9 35.2 1.0 CB A:GLU11 4.9 35.5 1.0

Calcium binding site 4 out of 8 in the Mouse E-Cadherin EC1-2 V81D 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 V81D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca704 b:65.8 occ:1.00 OD1 A:ASP180 2.3 42.0 1.0 OE2 A:GLU119 2.3 54.9 1.0 OE1 A:GLU119 2.7 54.3 1.0 CD A:GLU119 2.8 52.3 1.0 OE1 A:GLU182 3.3 50.3 1.0 CG A:ASP180 3.5 42.2 1.0 CG A:GLU119 4.2 49.5 1.0 N A:ARG181 4.3 36.3 1.0 OD2 A:ASP180 4.4 44.7 1.0 CB A:ASP180 4.5 41.2 1.0 OD1 A:ASP213 4.5 52.2 1.0 CD A:GLU182 4.5 51.8 1.0 CA A:ASP180 4.6 40.2 1.0 N A:GLU182 4.6 40.0 1.0 C A:ASP180 4.8 38.2 1.0

Calcium binding site 5 out of 8 in the Mouse E-Cadherin EC1-2 V81D 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 V81D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca701 b:36.9 occ:1.00 OD1 B:ASP103 2.1 36.4 1.0 OD1 B:ASP100 2.2 41.4 1.0 O B:GLN101 2.3 45.3 1.0 OE2 B:GLU69 2.4 34.7 1.0 OE2 B:GLU11 2.5 39.0 1.0 OD1 B:ASP136 2.6 47.3 1.0 OE1 B:GLU69 2.7 27.2 1.0 CD B:GLU69 2.8 33.7 1.0 CG B:ASP103 3.2 40.8 1.0 CG B:ASP100 3.3 42.2 1.0 CG B:ASP136 3.4 45.6 1.0 C B:GLN101 3.5 45.5 1.0 CD B:GLU11 3.6 39.5 1.0 OD2 B:ASP103 3.8 44.4 1.0 OD2 B:ASP100 3.8 37.5 1.0 N B:GLN101 3.8 43.6 1.0 ND2 B:ASN104 3.9 47.2 1.0 OE1 B:GLU11 3.9 40.5 1.0 CB B:ASP136 3.9 46.2 1.0 CA B:CA703 4.0 36.3 1.0 N B:ASP103 4.1 44.1 1.0 CA B:ASP136 4.2 47.1 1.0 OD2 B:ASP136 4.2 47.8 1.0 CA B:GLN101 4.3 45.8 1.0 CG B:GLU69 4.3 35.5 1.0 NE B:ARG68 4.4 38.5 1.0 CB B:ASP103 4.5 41.9 1.0 CB B:ASP100 4.6 41.1 1.0 N B:ASN102 4.6 45.5 1.0 NH2 B:ARG68 4.7 35.4 1.0 CA B:ASP100 4.7 41.0 1.0 C B:ASP100 4.8 42.0 1.0 CB B:ARG68 4.8 34.6 1.0 CA B:ASP103 4.8 43.0 1.0 CA B:ASN102 4.8 45.7 1.0 N B:ASN104 4.9 43.3 1.0 O B:HOH296 4.9 35.6 1.0 CG B:GLU11 4.9 36.5 1.0 C B:ASN102 5.0 44.9 1.0

Calcium binding site 6 out of 8 in the Mouse E-Cadherin EC1-2 V81D 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 V81D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca702 b:48.2 occ:1.00 OD1 B:ASP134 2.1 52.5 1.0 O B:ASN104 2.2 45.3 1.0 OD1 B:ASN102 2.3 45.5 1.0 O B:ASN143 2.4 47.8 1.0 OD2 B:ASP195 2.4 51.7 1.0 OD2 B:ASP136 2.4 47.8 1.0 OD2 B:ASP134 2.6 57.5 1.0 CG B:ASP134 2.7 53.4 1.0 C B:ASN104 3.4 45.3 1.0 CG B:ASP136 3.5 45.6 1.0 CG B:ASP195 3.5 51.7 1.0 C B:ASN143 3.5 48.6 1.0 CG B:ASN102 3.5 47.1 1.0 CB B:ASP195 4.0 52.2 1.0 CB B:ASP136 4.0 46.2 1.0 CB B:ASP134 4.2 52.9 1.0 CA B:ASN104 4.2 44.6 1.0 ND2 B:ASN102 4.2 48.2 1.0 N B:ASN104 4.3 43.3 1.0 CA B:ASN143 4.4 50.2 1.0 CD1 B:LEU201 4.4 51.0 1.0 OD1 B:ASP136 4.4 47.3 1.0 OD1 B:ASP195 4.4 47.9 1.0 CB B:ASN104 4.4 44.5 1.0 N B:ARG105 4.5 46.3 1.0 CB B:ASN143 4.5 51.1 1.0 N B:ALA144 4.5 46.9 1.0 CA B:ALA144 4.6 46.4 1.0 CA B:ASN102 4.6 45.7 1.0 CB B:ASN102 4.7 45.6 1.0 CD B:PRO106 4.7 46.2 1.0 CA B:ARG105 4.8 45.9 1.0 C B:ARG105 4.9 46.2 1.0 N B:ASP136 4.9 47.9 1.0 C B:ASN102 4.9 44.9 1.0 N B:PRO106 5.0 46.6 1.0

Calcium binding site 7 out of 8 in the Mouse E-Cadherin EC1-2 V81D 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 V81D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca703 b:36.3 occ:1.00 OD2 B:ASP103 2.1 44.4 1.0 OD1 B:ASP67 2.3 38.9 1.0 OE1 B:GLU69 2.3 27.2 1.0 OE1 B:GLU11 2.4 40.5 1.0 O B:HOH296 2.5 35.6 1.0 O B:HOH215 2.6 33.5 1.0 CG B:ASP103 3.2 40.8 1.0 CD B:GLU11 3.2 39.5 1.0 CG B:ASP67 3.2 38.6 1.0 OE2 B:GLU11 3.5 39.0 1.0 OD1 B:ASP103 3.5 36.4 1.0 CD B:GLU69 3.5 33.7 1.0 OD2 B:ASP67 3.9 39.9 1.0 CA B:ASP67 4.0 35.5 1.0 CA B:CA701 4.0 36.9 1.0 CB B:ASP67 4.0 35.7 1.0 N B:ARG68 4.0 35.6 1.0 N B:GLU69 4.1 36.5 1.0 CB B:GLU69 4.2 37.0 1.0 OD1 B:ASN12 4.2 34.5 1.0 C B:ASP67 4.3 35.6 1.0 ND2 B:ASN12 4.4 35.8 1.0 CG B:GLU11 4.4 36.5 1.0 CG B:GLU69 4.4 35.5 1.0 OE2 B:GLU69 4.5 34.7 1.0 CB B:ASP103 4.5 41.9 1.0 ND2 B:ASN104 4.5 47.2 1.0 O B:HOH283 4.6 43.5 1.0 CG B:ASN12 4.7 36.4 1.0 CA B:GLU69 4.8 37.6 1.0 CA B:ARG68 4.9 35.7 1.0 CB B:GLU11 5.0 34.9 1.0

Calcium binding site 8 out of 8 in the Mouse E-Cadherin EC1-2 V81D 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 V81D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca704 b:87.9 occ:1.00 OD1 B:ASP180 2.4 71.3 1.0 OE1 B:GLU119 2.5 91.0 1.0 OE1 B:GLU182 2.5 63.0 1.0 CD B:GLU119 3.3 90.9 1.0 CG B:ASP180 3.4 70.7 1.0 OE2 B:GLU119 3.4 91.6 1.0 CD B:GLU182 3.7 66.6 1.0 OD2 B:ASP180 3.8 67.0 1.0 OE2 B:GLU182 4.3 69.0 1.0 N B:ARG181 4.3 67.3 1.0 OD1 B:ASP213 4.5 78.1 1.0 CB B:ASP180 4.5 71.2 1.0 N B:GLU182 4.6 66.5 1.0 CA B:ASP180 4.6 70.6 1.0 CG B:GLU119 4.7 88.7 1.0 CG B:GLU182 4.7 66.4 1.0 CB B:GLU182 4.8 65.8 1.0 C B:ASP180 4.8 68.8 1.0 CB B:ARG181 5.0 65.9 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