Calcium in PDB 3rm1: 1.24 Angstrom X-Ray Structure of Bovine TRTK12-Ca(2+)-S100B D63N

The structure of 1.24 Angstrom X-Ray Structure of Bovine TRTK12-Ca(2+)-S100B D63N, PDB code: 3rm1 was solved by M.A.Liriano, D.J.Weber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.63 / 1.24
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	35.007, 89.251, 59.668, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 22.3

The binding sites of Calcium atom in the 1.24 Angstrom X-Ray Structure of Bovine TRTK12-Ca(2+)-S100B D63N (pdb code 3rm1). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 1.24 Angstrom X-Ray Structure of Bovine TRTK12-Ca(2+)-S100B D63N, PDB code: 3rm1:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 1.24 Angstrom X-Ray Structure of Bovine TRTK12-Ca(2+)-S100B D63N


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 1.24 Angstrom X-Ray Structure of Bovine TRTK12-Ca(2+)-S100B D63N within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:15.5 occ:1.00 O A:HOH239 2.3 11.6 1.0 O A:SER18 2.4 15.1 1.0 O A:LYS26 2.4 14.8 1.0 O A:ASP23 2.4 17.9 1.0 O A:GLU21 2.4 20.8 1.0 OE1 A:GLU31 2.4 15.6 1.0 OE2 A:GLU31 2.6 15.7 1.0 CD A:GLU31 2.9 14.4 1.0 C A:SER18 3.4 14.1 1.0 C A:ASP23 3.5 19.9 1.0 C A:GLU21 3.6 21.6 1.0 C A:LYS26 3.6 14.7 1.0 CA A:SER18 3.9 13.7 1.0 N A:GLU21 4.1 19.4 1.0 N A:ASP23 4.2 21.1 1.0 C A:GLY22 4.3 22.2 1.0 OE1 A:GLU67 4.3 23.1 1.0 CA A:ASP23 4.4 21.3 1.0 CG A:GLU31 4.4 14.1 1.0 N A:LYS28 4.4 13.6 1.0 N A:LYS24 4.4 20.6 1.0 CA A:GLU21 4.4 21.9 1.0 CA A:LYS24 4.5 20.9 1.0 N A:LEU27 4.5 13.8 1.0 N A:LYS26 4.5 17.1 1.0 CA A:LEU27 4.5 13.3 1.0 CB A:SER18 4.6 14.7 1.0 N A:GLY19 4.6 15.4 1.0 N A:GLY22 4.6 23.4 1.0 CA A:LYS26 4.6 15.6 1.0 O A:GLY22 4.6 24.0 1.0 O A:TYR17 4.7 13.8 1.0 O A:HOH271 4.7 21.3 1.0 CA A:GLY22 4.7 23.1 1.0 CB A:ASP23 4.8 21.8 1.0 N A:ARG20 4.8 17.7 1.0 C A:LYS24 4.8 20.3 1.0 C A:LEU27 4.9 13.5 1.0 CG A:LYS28 5.0 18.4 1.0 CA A:GLY19 5.0 17.2 1.0

Calcium binding site 2 out of 2 in the 1.24 Angstrom X-Ray Structure of Bovine TRTK12-Ca(2+)-S100B D63N


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 1.24 Angstrom X-Ray Structure of Bovine TRTK12-Ca(2+)-S100B D63N within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:14.6 occ:1.00 OD1 A:ASP61 2.3 15.3 1.0 O A:GLU67 2.3 15.2 1.0 O A:HOH222 2.3 8.2 1.0 OD1 A:ASN63 2.3 20.4 1.0 OD1 A:ASP65 2.4 17.4 1.0 OE1 A:GLU72 2.4 14.7 1.0 OE2 A:GLU72 2.6 15.9 1.0 CD A:GLU72 2.9 14.7 1.0 CG A:ASP65 3.3 17.6 1.0 CG A:ASN63 3.4 23.1 1.0 CG A:ASP61 3.4 14.9 1.0 C A:GLU67 3.5 14.7 1.0 OD2 A:ASP65 3.7 19.3 1.0 ND2 A:ASN63 4.0 25.0 1.0 CA A:ASP61 4.1 15.1 1.0 N A:ASP65 4.2 18.5 1.0 N A:GLU67 4.2 15.8 1.0 CB A:ASP61 4.2 15.1 1.0 OD2 A:ASP61 4.3 17.2 1.0 N A:ASN63 4.3 19.2 1.0 N A:ASP69 4.4 13.2 1.0 CG A:GLU72 4.4 14.8 1.0 N A:CYS68 4.4 14.0 1.0 CA A:CYS68 4.4 12.8 1.0 CA A:GLU67 4.4 15.5 1.0 OD2 A:ASP69 4.4 17.0 1.0 CB A:ASP65 4.4 18.6 1.0 CB A:ASN63 4.5 22.1 1.0 C A:ASP61 4.5 15.8 1.0 N A:GLY64 4.5 17.8 1.0 CA A:ASP65 4.7 18.9 1.0 CG A:ASP69 4.7 14.8 1.0 CA A:ASN63 4.7 21.1 1.0 N A:GLY66 4.7 18.2 1.0 N A:SER62 4.7 17.2 1.0 C A:ASN63 4.8 21.4 1.0 C A:CYS68 4.8 12.5 1.0 C A:ASP65 4.9 18.7 1.0 O A:ASP61 5.0 17.3 1.0

M.A.Liriano, K.M.Varney, K.G.Inman, R.Ishima, D.J.Weber. The Effects of Capz Peptide (TRTK12) on the Protein Dynamics of S100B and S100B D63N To Be Published.