Calcium in PDB 6aj8: Crystal Structure of Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase in Complex with Nadp+, Alpha-Ketoglutarate and CA2+

All present enzymatic activity of Crystal Structure of Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase in Complex with Nadp+, Alpha-Ketoglutarate and CA2+:
1.1.1.42;

The structure of Crystal Structure of Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase in Complex with Nadp+, Alpha-Ketoglutarate and CA2+, PDB code: 6aj8 was solved by X.Wang, D.K.Inaoka, T.Shiba, E.O.Balogun, N.Ziebart, S.Allman, Y.Watanabe, T.Nozaki, M.Boshart, F.Bringaud, S.Harada, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.474, 112.021, 132.136, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 27.1

The binding sites of Calcium atom in the Crystal Structure of Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase in Complex with Nadp+, Alpha-Ketoglutarate and CA2+ (pdb code 6aj8). 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 Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase in Complex with Nadp+, Alpha-Ketoglutarate and CA2+, PDB code: 6aj8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase in Complex with Nadp+, Alpha-Ketoglutarate and CA2+


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 Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase in Complex with Nadp+, Alpha-Ketoglutarate and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca502 b:60.2 occ:1.00 O B:HOH679 2.4 39.8 1.0 OD1 A:ASP278 2.5 38.9 1.0 OD2 B:ASP251 2.8 45.8 1.0 OD1 A:ASP274 2.9 31.4 1.0 O A:ASP274 3.0 26.4 1.0 O A:HOH689 3.5 43.8 1.0 CG A:ASP274 3.5 29.8 1.0 CG A:ASP278 3.5 38.3 1.0 CG B:ASP251 3.6 42.1 1.0 C A:ASP274 3.8 25.9 1.0 CB B:ASP251 3.9 40.4 1.0 CA A:ASP274 4.0 26.6 1.0 OD2 A:ASP278 4.0 42.1 1.0 OD2 A:ASP274 4.1 31.2 1.0 CB A:ASP274 4.3 28.0 1.0 OD1 B:ASP251 4.7 43.9 1.0 CB A:ASP278 4.7 36.1 1.0 N A:VAL275 4.9 24.9 1.0 NH2 A:ARG132 4.9 23.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase in Complex with Nadp+, Alpha-Ketoglutarate and CA2+


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 Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase in Complex with Nadp+, Alpha-Ketoglutarate and CA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:45.1 occ:1.00 OD1 B:ASP274 2.3 24.5 1.0 OD2 A:ASP251 2.4 38.7 1.0 OD2 B:ASP278 2.5 35.0 1.0 O B:HOH685 2.8 38.0 1.0 O B:ASP274 3.0 22.0 1.0 CG B:ASP278 3.2 33.8 1.0 O B:HOH620 3.3 36.8 1.0 OD1 B:ASP278 3.3 35.8 1.0 CG A:ASP251 3.5 36.0 1.0 CG B:ASP274 3.6 23.6 1.0 C B:ASP274 3.9 21.4 1.0 CB A:ASP251 4.1 35.1 1.0 CA B:ASP274 4.3 21.4 1.0 OD2 B:ASP274 4.3 24.4 1.0 CB B:ASP274 4.5 22.2 1.0 OD1 A:ASP251 4.5 35.6 1.0 CB B:ASP278 4.7 32.3 1.0 O B:HOH665 4.7 33.2 1.0

X.Wang, D.K.Inaoka, T.Shiba, E.O.Balogun, N.Ziebart, S.Allman, Y.Watanabe, T.Nozaki, M.Boshart, F.Bringaud, S.Harada, K.Kita. Biochemical Characterization of A Novel Trypanosoma Brucei Glycosomal Isocitrate Dehydrogenase with Dual Coenzyme Specificity (Nadp+/Nad+) To Be Published.