Calcium in PDB 6kde: Crystal Structure of the Alpha Beta Heterodimer of Human IDH3 in Complex with Ca(2+)

All present enzymatic activity of Crystal Structure of the Alpha Beta Heterodimer of Human IDH3 in Complex with Ca(2+):
1.1.1.41;

The structure of Crystal Structure of the Alpha Beta Heterodimer of Human IDH3 in Complex with Ca(2+), PDB code: 6kde was solved by P.K.Sun, J.P.Ding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.37 / 3.00
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	166.200, 166.200, 128.132, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.3

The binding sites of Calcium atom in the Crystal Structure of the Alpha Beta Heterodimer of Human IDH3 in Complex with Ca(2+) (pdb code 6kde). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of the Alpha Beta Heterodimer of Human IDH3 in Complex with Ca(2+), PDB code: 6kde:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of the Alpha Beta Heterodimer of Human IDH3 in Complex with Ca(2+)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Alpha Beta Heterodimer of Human IDH3 in Complex with Ca(2+) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca401 b:68.5 occ:1.00 OD2 B:ASP217 2.5 64.5 1.0 OD1 A:ASP230 2.6 73.8 1.0 OD2 A:ASP234 3.5 68.0 1.0 CG B:ASP217 3.7 66.9 1.0 OD1 A:ASP234 3.7 57.7 1.0 CG A:ASP230 3.8 68.1 1.0 O A:ASP230 3.8 72.3 1.0 NH2 A:ARG98 3.9 63.6 1.0 CG A:ASP234 3.9 63.1 1.0 CB B:ASP217 4.3 60.6 1.0 OD2 A:ASP230 4.4 65.4 1.0 C A:ASP230 4.7 64.1 1.0 OD1 B:ASP217 4.7 70.8 1.0 CB A:ASP230 4.8 63.1 1.0 NH2 A:ARG119 4.8 72.1 1.0 CA A:ASP230 4.8 61.5 1.0 NZ B:LYS184 4.9 69.0 1.0 CZ A:ARG98 5.0 63.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of the Alpha Beta Heterodimer of Human IDH3 in Complex with Ca(2+)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Alpha Beta Heterodimer of Human IDH3 in Complex with Ca(2+) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca401 b:71.8 occ:1.00 OD2 D:ASP217 2.4 58.7 1.0 OD1 C:ASP230 2.8 70.7 1.0 OD1 C:ASP234 3.5 59.1 1.0 CG D:ASP217 3.6 61.8 1.0 OD2 C:ASP234 3.8 64.7 1.0 NH2 C:ARG98 3.8 65.9 1.0 CG C:ASP234 3.9 60.5 1.0 CG C:ASP230 4.0 62.5 1.0 O C:ASP230 4.1 68.0 1.0 CB D:ASP217 4.3 57.4 1.0 OD1 D:ASP217 4.6 66.6 1.0 OD2 C:ASP230 4.6 59.3 1.0 NZ D:LYS184 4.7 60.9 1.0 CZ C:ARG98 4.9 65.7 1.0 C C:ASP230 4.9 60.3 1.0 OG C:SER233 4.9 57.7 1.0 CA C:ASP230 5.0 58.9 1.0 NH2 C:ARG119 5.0 71.8 1.0

J.P.Ding, T.F.Ma. Molecular Mechanism of the Allosteric Regulation of the Ag Heterodimer of Human Nad-Dependent Isocitrate Dehydrogenase To Be Published.