Calcium in PDB 2tn4: Four Calcium Tnc

The structure of Four Calcium Tnc, PDB code: 2tn4 was solved by M.L.Love, R.Dominguez, A.Houdusse, C.Cohen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.120, 51.880, 52.120, 90.00, 121.90, 90.00
R / Rfree (%)	21.2 / 26.5

The binding sites of Calcium atom in the Four Calcium Tnc (pdb code 2tn4). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Four Calcium Tnc, PDB code: 2tn4:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in the Four Calcium Tnc


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Four Calcium Tnc within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca160 b:21.5 occ:1.00 O A:ASP33 2.3 17.1 1.0 OD1 A:ASP27 2.4 22.8 1.0 O A:HOH173 2.5 14.8 1.0 OD1 A:ASP29 2.5 34.0 1.0 O A:HOH221 2.6 29.9 1.0 OE1 A:GLU38 2.6 16.4 1.0 OE2 A:GLU38 2.6 20.9 1.0 CD A:GLU38 3.0 19.9 1.0 CG A:ASP29 3.5 35.8 1.0 CG A:ASP27 3.6 25.1 1.0 C A:ASP33 3.6 17.2 1.0 OD2 A:ASP29 3.9 36.5 1.0 OD1 A:ASP33 4.0 29.2 1.0 CA A:ASP27 4.2 25.2 1.0 O A:HOH246 4.3 38.3 1.0 N A:GLY31 4.3 21.5 1.0 N A:ASP33 4.3 18.1 1.0 CB A:ASP27 4.4 22.6 1.0 OD2 A:ASP27 4.4 20.8 1.0 C A:ASP27 4.4 25.2 1.0 N A:ILE34 4.4 15.8 1.0 N A:ASP29 4.5 33.0 1.0 CA A:ILE34 4.5 13.7 1.0 O A:HOH227 4.5 32.2 1.0 CG A:GLU38 4.5 17.6 1.0 CA A:ASP33 4.6 16.1 1.0 CA A:GLY31 4.6 21.4 1.0 N A:SER35 4.6 15.7 1.0 N A:ALA28 4.6 25.7 1.0 N A:GLY32 4.7 22.6 1.0 CB A:ASP29 4.7 26.8 1.0 O A:ASP27 4.9 22.9 1.0 C A:ILE34 4.9 15.0 1.0 N A:GLY30 4.9 29.0 1.0 C A:GLY31 4.9 25.8 1.0 CA A:ASP29 5.0 32.4 1.0

Calcium binding site 2 out of 7 in the Four Calcium Tnc


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Four Calcium Tnc within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca161 b:15.6 occ:1.00 OD1 A:ASP63 2.4 23.1 1.0 OD1 A:ASP65 2.5 18.7 1.0 O A:THR69 2.5 20.1 1.0 O A:HOH188 2.5 21.0 1.0 OE1 A:GLU74 2.6 8.9 1.0 OE2 A:GLU74 2.6 13.0 1.0 OG A:SER67 2.6 20.6 1.0 CD A:GLU74 3.0 10.5 1.0 CG A:ASP65 3.4 24.0 1.0 CG A:ASP63 3.6 24.4 1.0 C A:THR69 3.6 15.1 1.0 OD2 A:ASP65 3.7 20.8 1.0 CB A:SER67 3.8 20.2 1.0 N A:SER67 4.2 15.3 1.0 OG1 A:THR69 4.3 19.2 1.0 N A:THR69 4.3 18.9 1.0 OD2 A:ASP63 4.3 21.5 1.0 CA A:ASP63 4.4 16.6 1.0 N A:ILE70 4.4 13.0 1.0 OD2 A:ASP71 4.5 18.7 1.0 N A:ASP71 4.5 12.5 1.0 CB A:ASP63 4.5 17.3 1.0 CA A:ILE70 4.5 11.3 1.0 CG A:GLU74 4.5 6.8 1.0 CA A:SER67 4.5 14.2 1.0 CA A:THR69 4.5 17.5 1.0 O A:HOH171 4.6 14.4 1.0 N A:ASP65 4.6 20.1 1.0 C A:ASP63 4.7 19.8 1.0 CB A:ASP65 4.7 19.5 1.0 N A:GLU64 4.7 22.5 1.0 N A:GLY66 4.8 20.3 1.0 CG A:ASP71 4.8 16.4 1.0 O A:HOH242 4.9 37.3 1.0 N A:GLY68 4.9 17.7 1.0 C A:ILE70 5.0 10.2 1.0 C A:SER67 5.0 14.0 1.0

Calcium binding site 3 out of 7 in the Four Calcium Tnc


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Four Calcium Tnc within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca162 b:16.5 occ:1.00 OD1 A:ASP103 2.3 15.1 1.0 OE1 A:GLU114 2.4 18.6 1.0 O A:TYR109 2.4 21.6 1.0 OE2 A:GLU114 2.5 16.1 1.0 OD1 A:ASP107 2.5 28.4 1.0 OD1 A:ASN105 2.5 21.6 1.0 O A:HOH232 2.5 33.5 1.0 CD A:GLU114 2.8 15.1 1.0 CG A:ASP107 3.4 27.3 1.0 CG A:ASP103 3.5 15.3 1.0 CG A:ASN105 3.6 19.3 1.0 C A:TYR109 3.6 18.0 1.0 OD2 A:ASP107 3.8 24.6 1.0 CA A:ASP103 4.1 14.3 1.0 ND2 A:ASN105 4.1 17.9 1.0 CB A:ASP103 4.3 10.2 1.0 CG A:GLU114 4.3 19.3 1.0 OD2 A:ASP103 4.3 13.2 1.0 N A:TYR109 4.4 17.0 1.0 C A:ASP103 4.4 15.6 1.0 OD2 A:ASP111 4.4 31.7 1.0 CA A:ILE110 4.5 15.7 1.0 N A:ILE110 4.5 16.7 1.0 N A:ASP107 4.5 15.9 1.0 N A:ASN105 4.5 16.6 1.0 CA A:TYR109 4.5 18.0 1.0 N A:ARG104 4.6 17.4 1.0 CB A:ASP107 4.7 22.0 1.0 O A:HOH186 4.7 20.5 1.0 N A:ASP111 4.7 15.1 1.0 N A:ALA106 4.8 15.1 1.0 CB A:ASN105 4.8 16.4 1.0 O A:ASP103 4.9 14.3 1.0 CG A:ASP111 4.9 29.0 1.0 CB A:TYR109 5.0 22.2 1.0 CA A:ASN105 5.0 19.1 1.0

Calcium binding site 4 out of 7 in the Four Calcium Tnc


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Four Calcium Tnc within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca163 b:19.0 occ:1.00 OD1 A:ASN141 2.3 19.8 1.0 O A:HOH175 2.4 16.7 1.0 O A:ARG145 2.4 26.7 1.0 OD1 A:ASP139 2.4 19.2 1.0 OE1 A:GLU150 2.4 19.4 1.0 OD1 A:ASP143 2.5 30.8 1.0 OE2 A:GLU150 2.7 17.5 1.0 CD A:GLU150 2.9 17.2 1.0 CG A:ASP143 3.3 26.3 1.0 CG A:ASN141 3.3 20.2 1.0 C A:ARG145 3.5 26.6 1.0 CG A:ASP139 3.6 16.5 1.0 OD2 A:ASP143 3.6 25.1 1.0 ND2 A:ASN141 3.9 23.3 1.0 N A:ARG145 4.1 27.6 1.0 OD2 A:ASP147 4.1 37.5 1.0 CA A:ASP139 4.3 19.6 1.0 N A:ASP143 4.3 18.1 1.0 CA A:ARG145 4.3 29.4 1.0 CG A:GLU150 4.4 17.7 1.0 N A:ASN141 4.4 22.0 1.0 CB A:ASP139 4.4 16.4 1.0 OD2 A:ASP139 4.4 19.8 1.0 N A:ILE146 4.5 21.7 1.0 CA A:ILE146 4.5 17.6 1.0 CB A:ASP143 4.5 22.5 1.0 CB A:ASN141 4.5 19.5 1.0 CB A:ARG145 4.6 34.4 1.0 N A:LYS140 4.6 23.8 1.0 C A:ASP139 4.6 20.0 1.0 N A:ASP147 4.7 16.2 1.0 N A:ASN142 4.7 21.3 1.0 O A:HOH258 4.7 46.5 1.0 CA A:ASP143 4.8 20.8 1.0 CA A:ASN141 4.8 22.1 1.0 CG A:ASP147 4.8 35.7 1.0 N A:GLY144 4.9 23.4 1.0 C A:ASN141 4.9 23.9 1.0

Calcium binding site 5 out of 7 in the Four Calcium Tnc


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Four Calcium Tnc within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca164 b:25.5 occ:1.00 O A:HOH216 2.3 28.6 1.0 OE2 A:GLU60 2.6 20.2 1.0 OE1 A:GLU60 2.6 21.8 1.0 CD A:GLU60 3.0 16.6 1.0 CA A:CA166 4.1 29.0 1.0 O A:HOH195 4.3 22.7 1.0 OD2 A:ASP56 4.3 20.1 1.0 CG A:GLU60 4.5 19.7 1.0

Calcium binding site 6 out of 7 in the Four Calcium Tnc


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Four Calcium Tnc within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca165 b:18.4 occ:1.00 O A:THR49 2.4 18.1 1.0 O A:HOH233 2.5 34.5 1.0 O A:HOH172 2.5 14.6 1.0 O A:HOH169 2.5 14.3 1.0 OG1 A:THR49 2.6 20.0 1.0 C A:THR49 3.5 18.3 1.0 CB A:THR49 3.5 13.7 1.0 CA A:THR49 4.1 12.7 1.0 O A:HOH179 4.5 18.1 1.0 N A:PRO50 4.6 18.2 1.0 OE1 A:GLU54 4.6 15.8 1.0 O A:HOH193 4.7 22.2 1.0 N A:THR49 4.7 11.6 1.0 CA A:PRO50 4.8 11.8 1.0 O A:HOH199 4.8 23.8 1.0 CG2 A:THR49 4.8 15.7 1.0 O A:HOH176 5.0 16.8 1.0

Calcium binding site 7 out of 7 in the Four Calcium Tnc


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Four Calcium Tnc within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca166 b:29.0 occ:1.00 OE2 A:GLU60 2.4 20.2 1.0 OD1 A:ASP56 2.5 27.4 1.0 OD2 A:ASP56 2.7 20.1 1.0 O A:HOH191 2.7 21.3 1.0 O A:HOH195 2.8 22.7 1.0 CG A:ASP56 2.9 18.8 1.0 CD A:GLU60 3.5 16.6 1.0 CG A:GLU60 4.1 19.7 1.0 CA A:CA164 4.1 25.5 1.0 OE1 A:GLU60 4.4 21.8 1.0 CB A:ASP56 4.4 13.7 1.0 O A:HOH235 4.7 35.3 1.0 O A:HOH239 4.9 36.4 1.0

A.Houdusse, M.L.Love, R.Dominguez, Z.Grabarek, C.Cohen. Structures of Four CA2+-Bound Troponin C at 2.0 A Resolution: Further Insights Into the CA2+-Switch in the Calmodulin Superfamily. Structure V. 5 1695 1997.
ISSN: ISSN 0969-2126
PubMed: 9438870
DOI: 10.1016/S0969-2126(97)00315-8