Calcium in PDB 6cg7: Mouse Cadherin-22 EC1-2 Adhesive Fragment

The structure of Mouse Cadherin-22 EC1-2 Adhesive Fragment, PDB code: 6cg7 was solved by J.Brasch, O.J.Harrison, L.Shapiro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.71
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.260, 45.077, 128.054, 90.00, 92.25, 90.00
R / Rfree (%)	22.6 / 27.7

The binding sites of Calcium atom in the Mouse Cadherin-22 EC1-2 Adhesive Fragment (pdb code 6cg7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Mouse Cadherin-22 EC1-2 Adhesive Fragment, PDB code: 6cg7:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Mouse Cadherin-22 EC1-2 Adhesive Fragment


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Mouse Cadherin-22 EC1-2 Adhesive Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:56.7 occ:1.00 OE1 A:GLU66 2.3 68.6 1.0 OD1 A:ASP64 2.3 47.9 1.0 OD1 A:ASP101 2.3 54.1 1.0 OE2 A:GLU12 2.4 57.3 1.0 OE2 A:GLU11 2.6 54.1 1.0 CG A:ASP101 3.2 53.6 1.0 CD A:GLU12 3.3 54.0 1.0 OD2 A:ASP101 3.4 79.4 1.0 CG A:ASP64 3.4 70.4 1.0 H A:GLU66 3.4 78.1 1.0 CD A:GLU66 3.5 56.1 1.0 HB2 A:GLU66 3.5 59.4 1.0 HG3 A:GLU12 3.5 73.0 1.0 CD A:GLU11 3.6 61.6 1.0 HG2 A:GLU12 3.6 73.0 1.0 HA A:ASP64 3.7 76.8 1.0 CG A:GLU12 3.7 60.8 1.0 H A:ARG65 3.8 62.2 1.0 OE1 A:GLU11 4.0 52.5 1.0 OD2 A:ASP64 4.1 65.8 1.0 CB A:GLU66 4.2 49.5 1.0 CG A:GLU66 4.3 59.0 1.0 CA A:CA302 4.3 53.1 1.0 N A:GLU66 4.3 65.1 1.0 HG2 A:GLU66 4.3 70.8 1.0 N A:ARG65 4.3 51.8 1.0 OE2 A:GLU66 4.4 67.4 1.0 OE1 A:GLU12 4.4 68.8 1.0 CB A:ASP64 4.4 57.3 1.0 CA A:ASP64 4.4 64.0 1.0 HB2 A:ASP64 4.6 68.8 1.0 CB A:ASP101 4.6 46.3 1.0 HB2 A:GLU11 4.6 61.9 1.0 HG A:SER102 4.7 74.2 1.0 C A:ASP64 4.7 60.8 1.0 HB2 A:ASP101 4.8 55.6 1.0 CG A:GLU11 4.8 48.1 1.0 HG3 A:GLU11 4.8 57.7 1.0 HB3 A:ARG65 4.8 75.2 1.0 CA A:GLU66 4.9 50.2 1.0 HB3 A:GLU66 5.0 59.4 1.0

Calcium binding site 2 out of 6 in the Mouse Cadherin-22 EC1-2 Adhesive Fragment


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Mouse Cadherin-22 EC1-2 Adhesive Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:53.1 occ:1.00 OE2 A:GLU66 2.4 67.4 1.0 OD2 A:ASP101 2.4 79.4 1.0 OD1 A:ASP134 2.4 49.8 1.0 OD1 A:ASP98 2.4 52.9 1.0 O A:ILE99 2.4 55.0 1.0 OE1 A:GLU11 2.6 52.5 1.0 CD A:GLU66 3.0 56.1 1.0 OE1 A:GLU66 3.1 68.6 1.0 H A:ILE99 3.1 54.0 1.0 H A:ASP101 3.2 68.2 1.0 HA A:ASP134 3.3 64.2 1.0 HG A:SER102 3.4 74.2 1.0 CG A:ASP134 3.4 64.0 1.0 CG A:ASP98 3.5 49.6 1.0 HE A:ARG65 3.6 63.5 1.0 C A:ILE99 3.6 56.2 1.0 CG A:ASP101 3.6 53.6 1.0 CD A:GLU11 3.6 61.6 1.0 N A:ILE99 3.8 45.0 1.0 HB3 A:ASP134 3.9 73.8 1.0 HH21 A:ARG65 4.0 64.9 1.0 CB A:ASP134 4.0 61.5 1.0 OE2 A:GLU11 4.0 54.1 1.0 OG A:SER102 4.1 61.8 1.0 HA A:ASP98 4.1 62.7 1.0 N A:ASP101 4.1 56.8 1.0 CA A:ASP134 4.1 53.5 1.0 OD2 A:ASP98 4.1 57.2 1.0 HG13 A:ILE99 4.1 69.5 1.0 HG12 A:ILE99 4.2 69.5 1.0 HB3 A:ARG65 4.2 75.2 1.0 OD1 A:ASP101 4.3 54.1 1.0 OD2 A:ASP134 4.3 54.4 1.0 HA A:ASN100 4.3 68.1 1.0 CA A:CA301 4.3 56.7 1.0 CA A:ILE99 4.3 43.5 1.0 CG A:GLU66 4.4 59.0 1.0 NE A:ARG65 4.4 52.9 1.0 HG2 A:GLU66 4.5 70.8 1.0 H A:ASP135 4.5 57.6 1.0 CB A:ASP98 4.6 51.7 1.0 CG1 A:ILE99 4.6 57.9 1.0 CA A:ASP98 4.6 52.3 1.0 N A:ASN100 4.6 51.3 1.0 HG3 A:GLU66 4.7 70.8 1.0 H A:SER102 4.7 60.8 1.0 C A:ASP98 4.7 47.1 1.0 CB A:ASP101 4.7 46.3 1.0 NH2 A:ARG65 4.7 54.1 1.0 CA A:ASP101 4.8 60.5 1.0 HB2 A:ASP98 4.8 62.1 1.0 CA A:ASN100 4.8 56.7 1.0 HB2 A:SER102 4.8 62.6 1.0 N A:SER102 4.9 50.7 1.0 CG A:GLU11 4.9 48.1 1.0 N A:ASP134 4.9 50.1 1.0 H A:GLU66 4.9 78.1 1.0 C A:ASP101 4.9 61.2 1.0 HB3 A:ASP101 4.9 55.6 1.0 HB2 A:ASP134 4.9 73.8 1.0 HG2 A:GLU11 5.0 57.7 1.0 C A:ASN100 5.0 52.5 1.0

Calcium binding site 3 out of 6 in the Mouse Cadherin-22 EC1-2 Adhesive Fragment


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Mouse Cadherin-22 EC1-2 Adhesive Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:50.0 occ:1.00 OD1 A:ASP132 2.3 50.6 1.0 OD2 A:ASP134 2.3 54.4 1.0 OD1 A:ASN100 2.4 54.4 1.0 OD2 A:ASP187 2.4 61.0 1.0 O A:SER141 2.5 52.3 1.0 O A:SER102 2.5 54.6 1.0 OD2 A:ASP132 2.6 53.8 1.0 CG A:ASP132 2.8 52.8 1.0 CG A:ASP187 3.4 60.5 1.0 CG A:ASP134 3.4 64.0 1.0 HB2 A:ASP134 3.4 73.8 1.0 HD12 A:LEU195 3.5 87.8 1.0 H A:SER102 3.5 60.8 1.0 CG A:ASN100 3.6 62.5 1.0 HB3 A:ASP187 3.6 64.9 1.0 HB2 A:ASP187 3.7 64.9 1.0 C A:SER102 3.7 52.7 1.0 HB2 A:SER102 3.7 62.6 1.0 C A:SER141 3.7 57.6 1.0 CB A:ASP187 3.8 54.1 1.0 CB A:ASP134 4.0 61.5 1.0 HA A:ALA142 4.0 66.7 1.0 HA A:ASN100 4.0 68.1 1.0 HD21 A:ASN100 4.1 90.5 1.0 HB3 A:SER141 4.1 73.3 1.0 HD3 A:PRO104 4.1 84.9 1.0 HB2 A:LEU195 4.2 82.6 1.0 N A:SER102 4.2 50.7 1.0 CB A:ASP132 4.3 48.0 1.0 ND2 A:ASN100 4.3 75.4 1.0 H A:ASP134 4.3 60.1 1.0 HA A:SER141 4.3 68.2 1.0 CA A:SER102 4.3 55.5 1.0 OD1 A:ASP187 4.4 78.0 1.0 OD1 A:ASP134 4.4 49.8 1.0 CD1 A:LEU195 4.4 73.2 1.0 CB A:SER102 4.5 52.2 1.0 HA A:GLU103 4.5 70.7 1.0 HB3 A:ASP134 4.5 73.8 1.0 HG3 A:PRO104 4.5 83.3 1.0 CA A:SER141 4.5 56.8 1.0 HB2 A:ASP132 4.6 57.6 1.0 HB3 A:ASP132 4.6 57.6 1.0 CB A:ASN100 4.6 55.1 1.0 N A:ALA142 4.7 66.7 1.0 CA A:ASN100 4.7 56.7 1.0 N A:GLU103 4.7 53.3 1.0 CA A:ALA142 4.8 55.5 1.0 CB A:SER141 4.8 61.1 1.0 HD11 A:LEU195 4.8 87.8 1.0 HG A:LEU195 4.9 74.9 1.0 HD21 A:LEU144 4.9 81.3 1.0 HB2 A:ASN100 4.9 66.1 1.0 CD A:PRO104 4.9 70.8 1.0 HD13 A:LEU195 4.9 87.8 1.0 C A:ASN100 4.9 52.5 1.0 H A:ASP101 4.9 68.2 1.0 CA A:GLU103 5.0 58.9 1.0 HB3 A:SER102 5.0 62.6 1.0 HA A:ASP132 5.0 53.4 1.0 N A:ASP134 5.0 50.1 1.0

Calcium binding site 4 out of 6 in the Mouse Cadherin-22 EC1-2 Adhesive Fragment


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Mouse Cadherin-22 EC1-2 Adhesive Fragment within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:63.4 occ:1.00 OD1 B:ASP101 2.2 56.4 1.0 OD1 B:ASP64 2.3 59.2 1.0 OE1 B:GLU66 2.3 82.0 1.0 OE2 B:GLU11 2.6 73.5 1.0 OE2 B:GLU12 2.8 68.2 1.0 CG B:ASP101 3.1 66.7 1.0 OD2 B:ASP101 3.3 64.1 1.0 CG B:ASP64 3.4 84.0 1.0 HG3 B:GLU12 3.4 0.2 1.0 CD B:GLU66 3.5 69.5 1.0 CD B:GLU11 3.5 69.0 1.0 CD B:GLU12 3.6 82.8 1.0 H B:GLU66 3.6 89.9 1.0 HG2 B:GLU12 3.7 0.2 1.0 HA B:ASP64 3.7 92.6 1.0 CG B:GLU12 3.8 87.7 1.0 HB2 B:GLU66 3.8 74.7 1.0 H B:ARG65 3.9 88.5 1.0 OE1 B:GLU11 3.9 74.5 1.0 CA B:CA302 4.0 68.6 1.0 OD2 B:ASP64 4.1 95.6 1.0 OE2 B:GLU66 4.3 61.6 1.0 CB B:ASP64 4.3 84.0 1.0 N B:ARG65 4.4 73.8 1.0 CA B:ASP64 4.4 77.2 1.0 CG B:GLU66 4.4 76.2 1.0 N B:GLU66 4.5 74.9 1.0 HG2 B:GLU66 4.5 91.4 1.0 HB2 B:ASP64 4.5 0.9 1.0 CB B:ASP101 4.5 65.2 1.0 CB B:GLU66 4.5 62.2 1.0 HB2 B:GLU11 4.7 91.2 1.0 HB2 B:ASP101 4.7 78.2 1.0 OE1 B:GLU12 4.7 97.3 1.0 HG3 B:GLU11 4.7 92.6 1.0 HG B:SER102 4.7 79.5 1.0 CG B:GLU11 4.7 77.1 1.0 C B:ASP64 4.7 70.7 1.0 HB3 B:ARG65 4.9 91.8 1.0 HB3 B:ASP101 4.9 78.2 1.0

Calcium binding site 5 out of 6 in the Mouse Cadherin-22 EC1-2 Adhesive Fragment


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Mouse Cadherin-22 EC1-2 Adhesive Fragment within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:68.6 occ:1.00 OD2 B:ASP101 2.4 64.1 1.0 OE2 B:GLU66 2.4 61.6 1.0 OD1 B:ASP98 2.5 70.7 1.0 O B:ILE99 2.6 55.1 1.0 OD1 B:ASP134 2.6 58.4 1.0 OE1 B:GLU11 2.6 74.5 1.0 CD B:GLU66 3.1 69.5 1.0 OE1 B:GLU66 3.1 82.0 1.0 H B:ILE99 3.2 84.3 1.0 HA B:ASP134 3.3 84.8 1.0 H B:ASP101 3.4 66.3 1.0 HG B:SER102 3.4 79.5 1.0 HE B:ARG65 3.5 0.8 1.0 CG B:ASP101 3.6 66.7 1.0 CG B:ASP134 3.6 66.6 1.0 CD B:GLU11 3.6 69.0 1.0 CG B:ASP98 3.6 79.0 1.0 C B:ILE99 3.7 69.0 1.0 N B:ILE99 3.9 70.2 1.0 OE2 B:GLU11 4.0 73.5 1.0 HH21 B:ARG65 4.0 89.3 1.0 HB3 B:ASP134 4.0 79.6 1.0 HB3 B:ARG65 4.0 91.8 1.0 CA B:CA301 4.0 63.4 1.0 HA B:ASP98 4.0 84.0 1.0 OG B:SER102 4.1 66.3 1.0 CA B:ASP134 4.1 70.6 1.0 CB B:ASP134 4.1 66.3 1.0 OD1 B:ASP101 4.2 56.4 1.0 HG13 B:ILE99 4.2 79.4 1.0 N B:ASP101 4.2 55.2 1.0 HG12 B:ILE99 4.2 79.4 1.0 OD2 B:ASP98 4.3 76.5 1.0 NE B:ARG65 4.4 92.3 1.0 CA B:ILE99 4.4 76.6 1.0 CG B:GLU66 4.5 76.2 1.0 H B:ASP135 4.5 95.7 1.0 HA B:ASN100 4.5 73.2 1.0 OD2 B:ASP134 4.5 74.8 1.0 CG1 B:ILE99 4.6 66.1 1.0 HG2 B:GLU66 4.6 91.4 1.0 CB B:ASP98 4.7 80.3 1.0 CA B:ASP98 4.7 70.0 1.0 CB B:ASP101 4.7 65.2 1.0 NH2 B:ARG65 4.7 74.4 1.0 HG3 B:GLU66 4.8 91.4 1.0 C B:ASP98 4.8 66.7 1.0 H B:SER102 4.8 85.8 1.0 N B:ASN100 4.8 66.9 1.0 CA B:ASP101 4.8 52.2 1.0 HB2 B:ASP98 4.8 96.3 1.0 H B:GLU66 4.9 89.9 1.0 HB3 B:ASP101 4.9 78.2 1.0 CG B:GLU11 4.9 77.1 1.0 CB B:ARG65 4.9 76.5 1.0 HB2 B:SER102 4.9 82.5 1.0 N B:SER102 5.0 71.5 1.0 N B:ASP134 5.0 65.0 1.0 C B:ASP101 5.0 64.1 1.0

Calcium binding site 6 out of 6 in the Mouse Cadherin-22 EC1-2 Adhesive Fragment


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Mouse Cadherin-22 EC1-2 Adhesive Fragment within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:62.3 occ:1.00 OD1 B:ASP132 2.3 88.7 1.0 O B:SER102 2.4 58.2 1.0 OD2 B:ASP134 2.4 74.8 1.0 OD2 B:ASP187 2.4 48.8 1.0 O B:SER141 2.4 71.7 1.0 OD1 B:ASN100 2.5 72.1 1.0 OD2 B:ASP132 2.5 67.1 1.0 CG B:ASP132 2.7 77.2 1.0 CG B:ASP187 3.4 67.0 1.0 CG B:ASP134 3.5 66.6 1.0 HB3 B:ASP187 3.5 88.9 1.0 HD12 B:LEU195 3.5 88.1 1.0 H B:SER102 3.5 85.8 1.0 HB2 B:ASP134 3.5 79.6 1.0 C B:SER102 3.5 72.5 1.0 CG B:ASN100 3.6 72.9 1.0 HB2 B:SER102 3.6 82.5 1.0 C B:SER141 3.7 72.7 1.0 HB2 B:ASP187 3.7 88.9 1.0 CB B:ASP187 3.8 74.1 1.0 HA B:ALA142 3.8 96.3 1.0 CB B:ASP134 4.0 66.3 1.0 HB3 B:SER141 4.1 91.6 1.0 HD21 B:ASN100 4.1 88.5 1.0 HD3 B:PRO104 4.2 94.3 1.0 HB2 B:LEU195 4.2 92.3 1.0 HA B:ASN100 4.2 73.2 1.0 N B:SER102 4.2 71.5 1.0 CB B:ASP132 4.2 71.2 1.0 HA B:GLU103 4.2 83.8 1.0 CA B:SER102 4.3 79.1 1.0 H B:ASP134 4.3 78.0 1.0 ND2 B:ASN100 4.3 73.8 1.0 HA B:SER141 4.3 98.0 1.0 CB B:SER102 4.4 68.8 1.0 OD1 B:ASP134 4.4 58.4 1.0 CD1 B:LEU195 4.4 73.4 1.0 OD1 B:ASP187 4.5 73.4 1.0 CA B:SER141 4.5 81.7 1.0 HB2 B:ASP132 4.6 85.5 1.0 HB3 B:ASP132 4.6 85.5 1.0 N B:ALA142 4.6 82.7 1.0 HB3 B:ASP134 4.6 79.6 1.0 N B:GLU103 4.6 75.9 1.0 CA B:ALA142 4.6 80.2 1.0 HG3 B:PRO104 4.7 89.5 1.0 CB B:ASN100 4.7 76.9 1.0 HD21 B:LEU144 4.7 0.0 1.0 CA B:GLU103 4.8 69.9 1.0 CB B:SER141 4.8 76.3 1.0 CA B:ASN100 4.8 61.0 1.0 HD13 B:LEU195 4.9 88.1 1.0 HB3 B:SER102 4.9 82.5 1.0 HD11 B:LEU195 4.9 88.1 1.0 HB2 B:ALA142 4.9 80.9 1.0 HA B:ASP132 4.9 90.1 1.0 C B:GLU103 4.9 79.2 1.0 CD B:PRO104 4.9 78.5 1.0 HG B:LEU195 5.0 76.5 1.0 N B:ASP134 5.0 65.0 1.0 HB2 B:ASN100 5.0 92.3 1.0

J.Brasch, P.S.Katsamba, O.J.Harrison, G.Ahlsen, R.B.Troyanovsky, I.Indra, A.Kaczynska, B.Kaeser, S.Troyanovsky, B.Honig, L.Shapiro. Homophilic and Heterophilic Interactions of Type II Cadherins Identify Specificity Groups Underlying Cell-Adhesive Behavior. Cell Rep V. 23 1840 2018.
ISSN: ESSN 2211-1247
PubMed: 29742438
DOI: 10.1016/J.CELREP.2018.04.012