Calcium in PDB 7kaa: uc(Nmr) Solution Structures of Tirasemtiv Drug Bound to A Fast Skeletal Troponin C-Troponin I Complex

The binding sites of Calcium atom in the uc(Nmr) Solution Structures of Tirasemtiv Drug Bound to A Fast Skeletal Troponin C-Troponin I Complex (pdb code 7kaa). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the uc(Nmr) Solution Structures of Tirasemtiv Drug Bound to A Fast Skeletal Troponin C-Troponin I Complex, PDB code: 7kaa:

Calcium binding site 1 out of 1 in the uc(Nmr) Solution Structures of Tirasemtiv Drug Bound to A Fast Skeletal Troponin C-Troponin I Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of uc(Nmr) Solution Structures of Tirasemtiv Drug Bound to A Fast Skeletal Troponin C-Troponin I Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:0.0 occ:1.00 OE1 A:GLU78 2.0 0.0 1.0 OD2 A:ASP69 2.0 0.0 1.0 OD1 A:ASP67 2.0 0.0 1.0 OG1 A:THR73 2.0 0.0 1.0 O A:SER71 2.2 0.0 1.0 HG1 A:THR73 2.5 0.0 1.0 H A:THR73 2.6 0.0 1.0 CG A:ASP69 2.8 0.0 1.0 CG A:ASP67 2.9 0.0 1.0 CD A:GLU78 2.9 0.0 1.0 HG A:SER71 3.0 0.0 1.0 OD1 A:ASP69 3.1 0.0 1.0 N A:THR73 3.1 0.0 1.0 OD2 A:ASP67 3.2 0.0 1.0 OE2 A:GLU78 3.2 0.0 1.0 O A:THR73 3.2 0.0 1.0 OG A:SER71 3.2 0.0 1.0 CB A:THR73 3.3 0.0 1.0 C A:SER71 3.4 0.0 1.0 HA2 A:GLY72 3.5 0.0 1.0 CA A:THR73 3.6 0.0 1.0 C A:THR73 3.8 0.0 1.0 H A:SER71 3.9 0.0 1.0 HB A:THR73 3.9 0.0 1.0 C A:GLY72 4.0 0.0 1.0 CA A:GLY72 4.1 0.0 1.0 HG21 A:THR73 4.1 0.0 1.0 CG2 A:THR73 4.2 0.0 1.0 CB A:ASP69 4.3 0.0 1.0 N A:GLY72 4.3 0.0 1.0 CB A:ASP67 4.3 0.0 1.0 CB A:SER71 4.3 0.0 1.0 CA A:SER71 4.3 0.0 1.0 CG A:GLU78 4.3 0.0 1.0 HB2 A:ASP69 4.4 0.0 1.0 H A:ASP69 4.4 0.0 1.0 HB2 A:ASP67 4.4 0.0 1.0 N A:SER71 4.5 0.0 1.0 HG2 A:GLU78 4.5 0.0 1.0 HG23 A:THR73 4.5 0.0 1.0 HA A:ASP67 4.6 0.0 1.0 HA A:THR73 4.6 0.0 1.0 HB2 A:SER71 4.7 0.0 1.0 HB3 A:GLU78 4.7 0.0 1.0 HB3 A:ASP69 4.9 0.0 1.0 O A:GLY72 4.9 0.0 1.0 HB3 A:ASP67 5.0 0.0 1.0

M.X.Li, P.Mercier, J.J.Hartman, B.D.Sykes. Structural Basis of Tirasemtiv Activation of Fast Skeletal Muscle. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 33703886
DOI: 10.1021/ACS.JMEDCHEM.0C01412