Magnesium in PDB 3da8: Crystal Structure of Purn From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of Purn From Mycobacterium Tuberculosis:
2.1.2.2;

The structure of Crystal Structure of Purn From Mycobacterium Tuberculosis, PDB code: 3da8 was solved by Z.Zhang, C.J.Squire, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.69 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.273, 73.366, 77.246, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 18.6

The structure of Crystal Structure of Purn From Mycobacterium Tuberculosis also contains other interesting chemical elements:

Iodine

(I)

9 atoms

The binding sites of Magnesium atom in the Crystal Structure of Purn From Mycobacterium Tuberculosis (pdb code 3da8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Purn From Mycobacterium Tuberculosis, PDB code: 3da8:

Magnesium binding site 1 out of 1 in the Crystal Structure of Purn From Mycobacterium Tuberculosis


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 Purn From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:18.4 occ:1.00 O A:THR117 2.2 10.2 1.0 O A:HOH618 2.3 24.2 1.0 O A:HOH711 2.4 21.6 1.0 O A:HOH677 2.4 22.9 1.0 O A:HOH664 2.4 20.3 1.0 OD1 A:ASN116 2.6 11.9 1.0 CG A:ASN116 3.2 12.4 1.0 ND2 A:ASN116 3.4 17.4 1.0 C A:THR117 3.4 8.0 1.0 N A:THR117 4.0 7.6 1.0 O A:HOH685 4.2 31.3 1.0 O A:HOH789 4.3 31.8 1.0 N A:HIS118 4.3 7.5 1.0 CA A:HIS118 4.3 7.3 1.0 O A:HOH695 4.3 30.2 1.0 CA A:THR117 4.4 8.2 1.0 O A:HOH808 4.4 27.5 1.0 OD1 A:ASP154 4.4 22.6 1.0 CB A:ASN116 4.4 10.2 1.0 O A:HOH747 4.5 22.4 1.0 ND1 A:HIS118 4.6 11.1 1.0 CB A:HIS118 4.6 8.1 1.0 O A:ALA96 4.7 12.6 1.0 OG1 A:THR117 4.8 12.7 1.0 NE2 A:HIS147 4.8 15.7 1.0 O A:HOH838 4.9 29.9 1.0 C A:ASN116 5.0 7.0 1.0

Z.Zhang, T.T.Caradoc-Davies, J.M.Dickson, E.N.Baker, C.J.Squire. Structures of Glycinamide Ribonucleotide Transformylase (Purn) From Mycobacterium Tuberculosis Reveal A Novel Dimer with Relevance to Drug Discovery. J.Mol.Biol. V. 389 722 2009.
ISSN: ISSN 0022-2836
PubMed: 19394344
DOI: 10.1016/J.JMB.2009.04.044