Magnesium in PDB 3wxl: Crystal Structure of Trypanosoma Brucei Gambiense Glycerol Kinase Complex with Adp, MG2+, and Glycerol

All present enzymatic activity of Crystal Structure of Trypanosoma Brucei Gambiense Glycerol Kinase Complex with Adp, MG2+, and Glycerol:
2.7.1.30;

The structure of Crystal Structure of Trypanosoma Brucei Gambiense Glycerol Kinase Complex with Adp, MG2+, and Glycerol, PDB code: 3wxl was solved by E.O.Balogun, D.K.Inaoka, T.Shiba, Y.Kido, C.Tsuge, T.Nara, T.Aoki, T.Honma, A.Tanaka, M.Inoue, S.Matsuoka, P.A.M.Michels, K.Kita, S.Harada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.115, 153.840, 120.098, 90.00, 89.95, 90.00
R / Rfree (%)	21.2 / 25.4

The binding sites of Magnesium atom in the Crystal Structure of Trypanosoma Brucei Gambiense Glycerol Kinase Complex with Adp, MG2+, and Glycerol (pdb code 3wxl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Trypanosoma Brucei Gambiense Glycerol Kinase Complex with Adp, MG2+, and Glycerol, PDB code: 3wxl:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Trypanosoma Brucei Gambiense Glycerol Kinase Complex with Adp, MG2+, and Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Trypanosoma Brucei Gambiense Glycerol Kinase Complex with Adp, MG2+, and Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg604 b:32.6 occ:1.00 O B:HOH876 2.0 32.8 1.0 O2B B:ADP603 2.0 30.3 1.0 O B:HOH884 2.1 33.0 1.0 O2B B:ADP602 2.1 41.1 1.0 PB B:ADP603 3.3 30.9 1.0 PB B:ADP602 3.3 41.2 1.0 O1B B:ADP603 3.6 30.9 1.0 O3B B:ADP602 3.6 41.4 1.0 NH1 B:ARG22 3.7 25.9 1.0 O1A B:ADP603 4.0 30.9 1.0 O B:HOH984 4.0 33.2 1.0 O1A B:ADP602 4.0 42.0 1.0 O3A B:ADP603 4.3 30.6 1.0 N7 B:ADP603 4.3 29.8 1.0 O1B B:ADP602 4.3 41.2 1.0 NH2 B:ARG24 4.4 28.6 1.0 O3B B:ADP603 4.4 30.2 1.0 O3A B:ADP602 4.4 41.6 1.0 C8 B:ADP603 4.6 29.9 1.0 PA B:ADP602 4.6 42.0 1.0 PA B:ADP603 4.8 30.7 1.0 CZ B:ARG22 4.8 25.5 1.0 O2A B:ADP602 4.9 42.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Trypanosoma Brucei Gambiense Glycerol Kinase Complex with Adp, MG2+, and Glycerol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Trypanosoma Brucei Gambiense Glycerol Kinase Complex with Adp, MG2+, and Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg604 b:37.9 occ:1.00 O2B D:ADP603 2.0 35.3 1.0 O D:HOH865 2.1 40.9 1.0 O2B D:ADP602 2.1 39.5 1.0 O D:HOH728 2.1 31.5 1.0 O D:HOH820 2.3 46.6 1.0 O D:HOH745 2.3 27.5 1.0 PB D:ADP603 3.3 36.0 1.0 PB D:ADP602 3.5 40.1 1.0 O1B D:ADP603 3.7 35.9 1.0 O D:HOH902 3.8 61.6 1.0 NH2 D:ARG22 3.9 31.4 1.0 O1B D:ADP602 3.9 40.3 1.0 NH1 D:ARG24 4.0 30.2 1.0 O2A D:ADP603 4.1 37.2 1.0 O3A D:ADP603 4.1 36.2 1.0 N7 D:ADP602 4.2 33.7 1.0 O1A D:ADP603 4.3 36.2 1.0 O2A D:ADP602 4.3 38.8 1.0 PA D:ADP603 4.3 36.4 1.0 O3A D:ADP602 4.4 39.3 1.0 O3B D:ADP603 4.4 35.5 1.0 O3B D:ADP602 4.5 39.9 1.0 O D:HOH936 4.6 43.3 1.0 O D:HOH793 4.7 46.1 1.0 C8 D:ADP602 4.8 33.7 1.0 O D:HOH934 4.8 40.4 1.0

E.O.Balogun, D.K.Inaoka, T.Shiba, Y.Kido, C.Tsuge, T.Nara, T.Aoki, T.Honma, A.Tanaka, M.Inoue, S.Matsuoka, P.A.Michels, K.Kita, S.Harada. Molecular Basis For the Reverse Reaction of African Human Trypanosomes Glycerol Kinase. Mol.Microbiol. V. 94 1315 2014.
ISSN: ISSN 0950-382X
PubMed: 25315291
DOI: 10.1111/MMI.12831