Calcium in PDB 1tn4: Four Calcium Tnc

The structure of Four Calcium Tnc, PDB code: 1tn4 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 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.340, 57.554, 102.130, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 26.5

The binding sites of Calcium atom in the Four Calcium Tnc (pdb code 1tn4). 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: 1tn4:
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:8.5 occ:1.00 OD1 A:ASP27 2.4 7.1 1.0 OE1 A:GLU38 2.4 12.1 1.0 O A:ASP33 2.5 6.4 1.0 OD1 A:ASP29 2.5 5.7 1.0 O A:HOH169 2.5 6.0 1.0 O A:HOH168 2.6 5.4 1.0 OE2 A:GLU38 2.6 6.7 1.0 CD A:GLU38 2.9 15.8 1.0 CG A:ASP29 3.4 10.7 1.0 CG A:ASP27 3.5 12.1 1.0 C A:ASP33 3.7 8.2 1.0 OD2 A:ASP29 3.8 9.0 1.0 OD1 A:ASP33 4.1 11.2 1.0 CA A:ASP27 4.2 5.2 1.0 N A:GLY31 4.3 7.9 1.0 N A:ASP29 4.3 9.0 1.0 O A:HOH179 4.3 9.5 1.0 OD2 A:ASP27 4.3 8.5 1.0 CG A:GLU38 4.3 7.6 1.0 N A:ASP33 4.4 5.6 1.0 CB A:ASP27 4.4 3.4 1.0 O A:HOH172 4.4 7.3 1.0 CA A:ILE34 4.4 5.4 1.0 C A:ASP27 4.5 7.7 1.0 N A:ILE34 4.5 6.9 1.0 CB A:ASP29 4.6 5.3 1.0 N A:SER35 4.6 5.2 1.0 CA A:ASP33 4.6 5.5 1.0 N A:GLY30 4.7 11.0 1.0 N A:ALA28 4.7 6.4 1.0 CA A:ASP29 4.7 11.9 1.0 CA A:GLY31 4.7 9.7 1.0 O A:HOH174 4.8 7.4 1.0 N A:GLY32 4.8 10.6 1.0 O A:ASP27 4.9 8.4 1.0 C A:ASP29 4.9 11.3 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:10.4 occ:1.00 O A:HOH167 2.4 5.0 1.0 OD1 A:ASP63 2.4 9.6 1.0 OE1 A:GLU74 2.4 4.8 1.0 OD1 A:ASP65 2.5 7.7 1.0 O A:THR69 2.5 6.2 1.0 OG A:SER67 2.6 4.9 1.0 OE2 A:GLU74 2.6 5.8 1.0 CD A:GLU74 2.8 9.2 1.0 CG A:ASP65 3.5 7.3 1.0 CB A:SER67 3.5 8.3 1.0 CG A:ASP63 3.6 11.1 1.0 C A:THR69 3.6 14.8 1.0 OD2 A:ASP65 3.8 9.2 1.0 OG1 A:THR69 4.1 5.2 1.0 N A:SER67 4.1 12.9 1.0 CA A:ASP63 4.2 7.2 1.0 N A:THR69 4.3 9.3 1.0 OD2 A:ASP71 4.3 14.2 1.0 CG A:GLU74 4.3 2.3 1.0 CA A:SER67 4.3 8.4 1.0 CB A:ASP63 4.4 4.7 1.0 N A:ASP71 4.4 4.7 1.0 OD2 A:ASP63 4.4 8.6 1.0 N A:ILE70 4.5 4.7 1.0 CA A:ILE70 4.5 2.2 1.0 CA A:THR69 4.5 9.2 1.0 N A:ASP65 4.6 14.5 1.0 N A:GLY68 4.7 4.8 1.0 C A:ASP63 4.7 12.2 1.0 O A:HOH187 4.7 11.4 1.0 CB A:ASP65 4.8 4.5 1.0 CG A:ASP71 4.8 16.5 1.0 C A:SER67 4.8 8.8 1.0 N A:GLU64 4.8 9.4 1.0 N A:GLY66 4.9 9.5 1.0 C A:ILE70 4.9 5.0 1.0 O A:HOH223 4.9 20.7 1.0 CB A:THR69 5.0 3.5 1.0 CA A:ASP65 5.0 12.2 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:10.8 occ:1.00 O A:TYR109 2.3 5.4 1.0 OD1 A:ASP107 2.4 11.8 1.0 O A:HOH171 2.5 7.1 1.0 OD1 A:ASP103 2.5 8.4 1.0 OD1 A:ASN105 2.5 18.0 1.0 OE2 A:GLU114 2.6 11.2 1.0 OE1 A:GLU114 2.6 9.8 1.0 CD A:GLU114 2.9 15.1 1.0 CG A:ASP107 3.2 13.9 1.0 CG A:ASP103 3.5 9.0 1.0 CG A:ASN105 3.6 21.1 1.0 C A:TYR109 3.6 6.2 1.0 OD2 A:ASP107 3.6 15.9 1.0 CA A:ASP103 4.1 7.7 1.0 ND2 A:ASN105 4.1 15.7 1.0 N A:ASP107 4.2 14.4 1.0 N A:TYR109 4.2 6.2 1.0 CB A:ASP103 4.3 7.4 1.0 N A:ASN105 4.3 10.2 1.0 CD1 A:TYR109 4.3 16.2 1.0 OD2 A:ASP103 4.4 8.3 1.0 CG A:GLU114 4.4 9.1 1.0 CA A:ILE110 4.4 7.1 1.0 C A:ASP103 4.4 11.4 1.0 N A:ILE110 4.4 6.7 1.0 CB A:ASP107 4.4 12.6 1.0 CE1 A:TYR109 4.5 11.6 1.0 CA A:TYR109 4.5 6.5 1.0 N A:ARG104 4.6 11.0 1.0 N A:ALA106 4.6 10.7 1.0 CA A:ASP107 4.7 11.5 1.0 CG A:TYR109 4.7 12.8 1.0 CB A:ASN105 4.7 12.5 1.0 O A:HOH215 4.7 19.3 1.0 OD2 A:ASP111 4.7 11.0 1.0 N A:GLY108 4.8 9.1 1.0 CA A:ASN105 4.8 8.8 1.0 N A:ASP111 4.9 5.9 1.0 C A:ASN105 4.9 13.2 1.0 CZ A:TYR109 5.0 15.3 1.0 O A:ASP103 5.0 11.7 1.0 C A:ASP107 5.0 15.3 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:11.9 occ:1.00 O A:ARG145 2.4 6.9 1.0 O A:HOH180 2.4 9.5 1.0 OD1 A:ASN141 2.4 11.9 1.0 OD1 A:ASP139 2.5 10.9 1.0 OD1 A:ASP143 2.5 9.2 1.0 OE1 A:GLU150 2.6 6.8 1.0 OE2 A:GLU150 2.7 8.6 1.0 CD A:GLU150 3.0 15.0 1.0 CG A:ASP143 3.4 16.4 1.0 C A:ARG145 3.5 15.9 1.0 CG A:ASP139 3.5 10.3 1.0 CG A:ASN141 3.6 16.0 1.0 OD2 A:ASP143 3.7 14.7 1.0 ND2 A:ASN141 4.2 19.2 1.0 CA A:ASP139 4.2 7.8 1.0 CB A:ASP139 4.2 9.2 1.0 N A:ARG145 4.3 8.8 1.0 N A:ASN141 4.3 10.8 1.0 CA A:ARG145 4.3 12.1 1.0 N A:ASP143 4.4 14.1 1.0 OD2 A:ASP139 4.4 10.8 1.0 O A:HOH344 4.4 39.3 1.0 N A:ILE146 4.4 5.5 1.0 N A:LYS140 4.4 13.5 1.0 CG A:GLU150 4.5 12.7 1.0 CA A:ILE146 4.5 7.2 1.0 C A:ASP139 4.5 19.6 1.0 CB A:ARG145 4.6 11.0 1.0 CB A:ASP143 4.7 8.4 1.0 N A:ASN142 4.7 13.9 1.0 O A:HOH207 4.7 17.5 1.0 N A:ASP147 4.8 5.4 1.0 CB A:ASN141 4.8 7.8 1.0 CA A:ASN141 4.9 8.6 1.0 CA A:ASP143 4.9 7.9 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:11.5 occ:1.00 O A:HOH188 2.5 11.4 1.0 O A:HOH210 2.6 18.4 1.0 O A:HOH221 2.6 20.6 1.0 OE1 A:GLU124 2.7 14.8 1.0 OE2 A:GLU124 2.7 8.5 1.0 CD A:GLU124 3.1 16.6 1.0 CA A:CA165 3.9 11.8 1.0 O A:HOH209 4.2 18.2 1.0 CG A:GLU124 4.6 10.1 1.0 N A:HIS125 4.9 7.8 1.0 O A:HIS125 5.0 11.9 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:11.8 occ:1.00 O A:HIS125 2.3 11.9 1.0 O A:HOH173 2.5 7.4 1.0 O A:HOH175 2.5 8.2 1.0 OE2 A:GLU124 2.5 8.5 1.0 O A:HOH209 2.7 18.2 1.0 C A:HIS125 3.5 14.2 1.0 CD A:GLU124 3.7 16.6 1.0 CA A:CA164 3.9 11.5 1.0 O A:HOH210 4.2 18.4 1.0 CG A:GLU124 4.4 10.1 1.0 CA A:HIS125 4.4 9.8 1.0 N A:VAL126 4.4 11.3 1.0 OE1 A:GLU130 4.4 16.6 1.0 CA A:VAL126 4.5 11.6 1.0 N A:HIS125 4.5 7.8 1.0 OE2 A:GLU130 4.5 12.4 1.0 CB A:HIS125 4.5 5.5 1.0 ND1 A:HIS125 4.6 15.2 1.0 OE1 A:GLU124 4.6 14.8 1.0 O A:HOH310 4.6 34.9 1.0 CD A:GLU130 4.9 12.7 1.0 CG A:HIS125 5.0 5.6 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:14.3 occ:1.00 O A:HOH230 2.5 21.7 1.0 O A:HOH182 2.5 10.8 1.0 O A:HOH201 2.5 16.5 1.0 OD2 A:ASP111 2.6 11.0 1.0 CG A:ASP111 3.4 7.5 1.0 CB A:ASP111 4.0 2.1 1.0 O A:HOH197 4.1 15.1 1.0 O A:HOH171 4.3 7.1 1.0 OD1 A:ASP111 4.4 11.2 1.0 OH A:TYR109 4.5 15.2 1.0 O A:HOH208 4.5 18.1 1.0 CE1 A:TYR109 4.6 11.6 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