Magnesium in PDB 3hqj: Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps).

All present enzymatic activity of Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps).:
2.7.8.7;

The structure of Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps)., PDB code: 3hqj was solved by O.Dym, S.Albeck, Y.Peleg, A.Schwarz, Z.Shakked, Y.Burstein, O.Zimhony, Israel Structural Proteomics Center (Ispc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.95
Space group	P 2 3
Cell size a, b, c (Å), α, β, γ (°)	77.443, 77.443, 77.443, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.2

The binding sites of Magnesium atom in the Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps). (pdb code 3hqj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps)., PDB code: 3hqj:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps).


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps). within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg131 b:11.8 occ:0.33 O A:HOH143 0.5 0.0 0.3 O A:HOH133 2.3 18.2 1.0 O A:HOH132 2.6 12.3 1.0 OD1 A:ASP119 4.1 18.1 1.0 OD2 A:ASP119 4.2 17.5 1.0 O A:HOH168 4.4 18.6 1.0 CG A:ASP119 4.6 16.9 1.0 O A:HOH157 4.8 25.8 1.0 O A:HOH173 5.0 35.6 1.0

Magnesium binding site 2 out of 3 in the Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps).


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps). within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg134 b:18.1 occ:1.00 O1A A:COA150 2.1 17.1 1.0 O A:HOH136 2.1 14.8 1.0 O A:HOH135 2.1 13.0 1.0 O A:HOH139 2.2 15.6 1.0 O A:HOH137 2.2 16.4 1.0 P1A A:COA150 3.3 14.6 1.0 O2A A:COA150 3.5 15.8 1.0 OG1 A:THR115 3.9 15.6 1.0 O A:HOH141 4.1 23.6 1.0 O A:HOH146 4.1 17.1 1.0 O3A A:COA150 4.2 14.4 1.0 O A:HOH138 4.2 30.3 1.0 O5B A:COA150 4.4 14.4 1.0 OE1 A:GLU117 4.9 23.5 1.0

Magnesium binding site 3 out of 3 in the Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps).


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure-Function Analysis of Mycobacterium Tuberculosis Acyl Carrier Protein Synthase (Acps). within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg145 b:17.9 occ:1.00 O3A A:COA150 1.9 14.4 1.0 O A:HIS116 2.0 15.7 1.0 O A:HOH148 2.2 16.6 1.0 O A:HOH146 2.2 17.1 1.0 O A:HOH147 2.2 18.0 1.0 ND1 A:HIS116 2.3 16.9 1.0 CE1 A:HIS116 3.1 17.2 1.0 C A:HIS116 3.1 15.0 1.0 P1A A:COA150 3.2 14.6 1.0 CG A:HIS116 3.4 16.5 1.0 O2A A:COA150 3.5 15.8 1.0 N A:HIS116 3.6 14.1 1.0 CA A:HIS116 3.7 14.5 1.0 CB A:HIS116 3.8 13.5 1.0 NE2 A:HIS116 4.3 17.5 1.0 N A:GLU117 4.3 14.4 1.0 O A:HOH137 4.3 16.4 1.0 O1A A:COA150 4.3 17.1 1.0 O5B A:COA150 4.3 14.4 1.0 O A:HOH140 4.4 29.7 1.0 CD2 A:HIS116 4.4 17.3 1.0 C5B A:COA150 4.4 18.2 1.0 O A:HOH136 4.5 14.8 1.0 O A:HOH152 4.6 18.1 1.0 CA A:GLU117 4.6 15.3 1.0 OE1 A:GLU117 4.7 23.5 1.0 C A:THR115 4.8 13.9 1.0 CD A:ARG48 4.9 17.0 1.0

O.Dym, S.Albeck, Y.Peleg, A.Schwarz, Z.Shakked, Y.Burstein, O.Zimhony. Structure-Function Analysis of the Acyl Carrier Protein Synthase (Acps) From Mycobacterium Tuberculosis. J.Mol.Biol. V. 393 937 2009.
ISSN: ISSN 0022-2836
PubMed: 19733180
DOI: 10.1016/J.JMB.2009.08.065