Calcium in PDB 8fmr: Complex Structure of K210 Deletion Troponin Complex with Ibandronate

The structure of Complex Structure of K210 Deletion Troponin Complex with Ibandronate, PDB code: 8fmr was solved by P.Wang, M.Ahmed, H.Sadek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.39 / 3.24
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.531, 169.315, 69.413, 90, 102.12, 90
R / Rfree (%)	26.1 / 33

The binding sites of Calcium atom in the Complex Structure of K210 Deletion Troponin Complex with Ibandronate (pdb code 8fmr). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Complex Structure of K210 Deletion Troponin Complex with Ibandronate, PDB code: 8fmr:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Complex Structure of K210 Deletion Troponin Complex with Ibandronate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Complex Structure of K210 Deletion Troponin Complex with Ibandronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:43.0 occ:1.00 OE1 A:GLU76 2.4 53.4 1.0 OE2 A:GLU76 2.5 30.9 1.0 O A:THR71 2.5 47.9 1.0 OD1 A:ASP65 2.5 69.7 1.0 CD A:GLU76 2.8 43.1 1.0 CB A:ASP67 2.9 54.1 1.0 OD2 A:ASP67 3.4 34.0 1.0 CG A:ASP67 3.6 37.7 1.0 C A:THR71 3.7 64.7 1.0 CG A:ASP65 3.7 63.0 1.0 CA A:ASP67 4.0 67.9 1.0 CB A:SER69 4.0 59.2 1.0 OG1 A:THR71 4.1 49.1 1.0 N A:SER69 4.1 59.3 1.0 C A:ASP67 4.3 89.0 1.0 N A:ASP67 4.3 57.1 1.0 CG A:GLU76 4.3 43.6 1.0 OD2 A:ASP73 4.3 43.8 1.0 N A:THR71 4.4 71.7 1.0 N A:GLY68 4.4 50.2 1.0 OD2 A:ASP65 4.4 59.3 1.0 CA A:ASP65 4.5 53.6 1.0 CA A:THR71 4.6 66.2 1.0 CA A:SER69 4.6 54.8 1.0 N A:VAL72 4.7 69.7 1.0 CB A:ASP65 4.7 58.9 1.0 OD1 A:ASP67 4.8 18.2 1.0 CA A:VAL72 4.8 51.2 1.0 C A:ASP65 4.8 48.1 1.0 N A:ASP73 4.8 55.5 1.0 O A:ASP67 4.9 93.9 1.0 OG A:SER69 4.9 67.7 1.0 N A:GLY70 4.9 81.1 1.0 N A:GLU66 4.9 43.8 1.0 C A:GLU66 5.0 56.7 1.0 CB A:THR71 5.0 55.2 1.0 C A:SER69 5.0 52.0 1.0

Calcium binding site 2 out of 6 in the Complex Structure of K210 Deletion Troponin Complex with Ibandronate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Complex Structure of K210 Deletion Troponin Complex with Ibandronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca202 b:38.7 occ:1.00 OE2 A:GLU116 2.3 32.0 1.0 OD2 A:ASP109 2.3 40.7 1.0 OD1 A:ASP105 2.5 38.1 1.0 O A:TYR111 2.5 44.4 1.0 OE1 A:GLU116 2.6 33.6 1.0 OD1 A:ASN107 2.6 37.0 1.0 OD1 A:ASP109 2.7 49.5 1.0 CD A:GLU116 2.7 38.2 1.0 CG A:ASP109 2.8 44.0 1.0 OD1 A:ASP113 3.0 66.4 1.0 C A:TYR111 3.3 46.9 1.0 CG A:ASN107 3.5 37.4 1.0 CG A:ASP105 3.6 34.2 1.0 ND2 A:ASN107 3.8 36.8 1.0 N A:ILE112 4.0 29.6 1.0 CA A:ILE112 4.1 37.4 1.0 N A:ASP113 4.1 51.6 1.0 N A:TYR111 4.1 42.9 1.0 CA A:TYR111 4.1 44.1 1.0 CG A:ASP113 4.1 51.8 1.0 CG A:GLU116 4.1 44.5 1.0 CB A:ASP109 4.3 40.8 1.0 OD2 A:ASP105 4.3 28.0 1.0 CB A:TYR111 4.4 40.2 1.0 CA A:ASP105 4.4 39.8 1.0 CB A:ASP105 4.6 37.6 1.0 N A:ASP109 4.6 41.8 1.0 C A:ILE112 4.6 44.9 1.0 OD2 A:ASP113 4.8 43.2 1.0 CB A:ASN107 4.9 37.0 1.0 N A:GLY110 4.9 35.5 1.0 CB A:GLU116 4.9 51.1 1.0 CA A:ASP109 5.0 41.3 1.0

Calcium binding site 3 out of 6 in the Complex Structure of K210 Deletion Troponin Complex with Ibandronate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Complex Structure of K210 Deletion Troponin Complex with Ibandronate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca203 b:34.4 occ:1.00 OD2 A:ASP145 2.2 64.4 1.0 OE1 A:GLU152 2.4 44.9 1.0 O A:ARG147 2.5 25.1 1.0 OD1 A:ASP141 2.5 53.7 1.0 OD1 A:ASN143 2.5 34.4 1.0 OD1 A:ASP145 2.8 53.0 1.0 CG A:ASP145 2.8 63.6 1.0 CD A:GLU152 3.0 48.0 1.0 OE2 A:GLU152 3.0 55.3 1.0 CG A:ASN143 3.6 50.5 1.0 OD1 A:ASP149 3.6 37.1 1.0 CG A:ASP141 3.6 57.2 1.0 C A:ARG147 3.6 37.4 1.0 ND2 A:ASN143 4.0 50.9 1.0 CA A:ASP141 4.0 45.2 1.0 CB A:ASP145 4.2 58.9 1.0 CB A:ASP141 4.3 50.4 1.0 CG A:GLU152 4.3 44.1 1.0 CA A:ILE148 4.4 34.6 1.0 N A:ASP149 4.4 37.5 1.0 N A:ILE148 4.4 31.6 1.0 N A:ARG147 4.5 50.0 1.0 C A:ASP141 4.5 42.9 1.0 OD2 A:ASP141 4.6 65.2 1.0 N A:ASP145 4.6 58.4 1.0 CG A:ASP149 4.6 36.3 1.0 N A:ASN143 4.6 63.2 1.0 N A:LYS142 4.6 36.7 1.0 CA A:ARG147 4.6 46.8 1.0 CG A:ARG147 4.7 52.7 1.0 CB A:ASN143 4.9 52.1 1.0 O A:GLY140 4.9 55.3 1.0 CA A:ASP145 4.9 51.4 1.0 C A:ILE148 5.0 29.8 1.0 CB A:GLU152 5.0 47.0 1.0

Calcium binding site 4 out of 6 in the Complex Structure of K210 Deletion Troponin Complex with Ibandronate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Complex Structure of K210 Deletion Troponin Complex with Ibandronate within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:70.4 occ:1.00 OD2 D:ASP67 2.2 84.6 1.0 OE1 D:GLU76 2.4 40.7 1.0 O D:THR71 2.5 59.3 1.0 OG D:SER69 2.5 51.7 1.0 CG D:ASP67 2.8 76.3 1.0 OD1 D:ASP67 2.8 69.8 1.0 OD2 D:ASP73 3.2 48.7 1.0 CB D:SER69 3.3 62.9 1.0 OG1 D:THR71 3.4 48.9 1.0 CD D:GLU76 3.5 43.2 1.0 C D:THR71 3.5 50.5 1.0 OE2 D:GLU76 3.8 43.5 1.0 N D:ASP73 4.1 46.6 1.0 CG D:ASP73 4.2 50.0 1.0 OD1 D:ASP65 4.3 55.4 1.0 CB D:ASP67 4.3 67.0 1.0 N D:VAL72 4.3 48.1 1.0 CA D:THR71 4.4 51.0 1.0 CB D:ASP73 4.4 50.0 1.0 CA D:VAL72 4.4 42.8 1.0 OG D:SER35 4.4 55.6 1.0 C D:VAL72 4.5 40.3 1.0 CB D:THR71 4.5 50.7 1.0 N D:THR71 4.5 58.7 1.0 CA D:SER69 4.7 61.8 1.0 CG D:GLU76 4.8 38.5 1.0 CA D:ASP73 4.9 45.2 1.0 N D:SER69 5.0 69.7 1.0

Calcium binding site 5 out of 6 in the Complex Structure of K210 Deletion Troponin Complex with Ibandronate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Complex Structure of K210 Deletion Troponin Complex with Ibandronate within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca202 b:29.8 occ:1.00 OD2 D:ASP109 2.3 35.5 1.0 OE1 D:GLU116 2.3 28.6 1.0 OD1 D:ASP109 2.4 38.1 1.0 OD1 D:ASN107 2.4 34.2 1.0 OE2 D:GLU116 2.5 23.1 1.0 O D:TYR111 2.5 31.4 1.0 CG D:ASP109 2.6 38.5 1.0 CD D:GLU116 2.7 28.9 1.0 OD1 D:ASP105 3.1 40.2 1.0 CG D:ASN107 3.4 34.5 1.0 C D:TYR111 3.5 37.3 1.0 ND2 D:ASN107 3.8 37.3 1.0 CB D:ASP109 4.1 37.3 1.0 N D:ASP113 4.1 29.1 1.0 CG D:GLU116 4.1 34.1 1.0 CG D:ASP105 4.1 37.8 1.0 N D:TYR111 4.4 33.6 1.0 N D:ILE112 4.4 29.6 1.0 CA D:TYR111 4.5 34.5 1.0 CA D:ILE112 4.5 30.1 1.0 N D:ASP109 4.5 40.5 1.0 CG D:ASP113 4.6 50.4 1.0 CB D:ASP113 4.6 39.1 1.0 CA D:ASP105 4.6 31.4 1.0 CB D:ASP105 4.7 34.8 1.0 CB D:ASN107 4.7 31.7 1.0 C D:ILE112 4.8 30.3 1.0 OD1 D:ASP113 4.8 53.2 1.0 N D:ASN107 4.8 30.5 1.0 CA D:ASP109 4.8 38.9 1.0 CB D:TYR111 4.8 34.2 1.0 OD2 D:ASP113 4.9 58.6 1.0 N D:LYS106 5.0 27.5 1.0 CB D:GLU116 5.0 38.8 1.0 CA D:ASP113 5.0 32.8 1.0

Calcium binding site 6 out of 6 in the Complex Structure of K210 Deletion Troponin Complex with Ibandronate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Complex Structure of K210 Deletion Troponin Complex with Ibandronate within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca203 b:33.5 occ:1.00 OE2 D:GLU152 2.3 28.9 1.0 O D:ARG147 2.4 20.1 1.0 OD1 D:ASN143 2.4 21.1 1.0 OE1 D:GLU152 2.5 27.1 1.0 OD1 D:ASP145 2.5 37.2 1.0 OD1 D:ASP141 2.6 33.6 1.0 OD2 D:ASP145 2.7 45.8 1.0 CD D:GLU152 2.7 29.0 1.0 CG D:ASP145 2.9 42.9 1.0 CG D:ASN143 3.5 30.3 1.0 C D:ARG147 3.6 21.5 1.0 CG D:ASP141 3.8 33.6 1.0 ND2 D:ASN143 3.9 29.9 1.0 CG D:GLU152 4.2 29.0 1.0 CB D:ASP145 4.4 35.3 1.0 N D:ASP149 4.4 24.2 1.0 CA D:ILE148 4.4 21.9 1.0 N D:ILE148 4.4 21.1 1.0 CG D:ARG147 4.5 31.2 1.0 N D:ARG147 4.5 29.1 1.0 CA D:ASP141 4.5 29.1 1.0 OD2 D:ASP141 4.5 31.4 1.0 CA D:ARG147 4.6 27.1 1.0 CB D:ASP141 4.7 28.5 1.0 N D:ASP145 4.7 40.2 1.0 CG D:ASP149 4.8 33.0 1.0 CB D:ASN143 4.8 34.6 1.0 OD1 D:ASP149 4.8 31.1 1.0 N D:ASN143 4.9 31.6 1.0 CB D:GLU152 4.9 29.6 1.0 OD2 D:ASP149 4.9 35.4 1.0 C D:ASP141 4.9 31.6 1.0 C D:ILE148 4.9 22.7 1.0

P.Wang, M.Ahmed, H.Sadek. Structural and Phenotypic Correction of K210DEL Genetic Cardiomyopathy By An Fda Approved Drug To Be Published.