Magnesium in PDB 5edd: Crystal Structure of Mycobacterium Tuberculosis Dutpase R140K, H145W Mutant

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Dutpase R140K, H145W Mutant:
3.6.1.23;

The structure of Crystal Structure of Mycobacterium Tuberculosis Dutpase R140K, H145W Mutant, PDB code: 5edd was solved by G.N.Nagy, I.Leveles, A.Lopata, V.Harmat, J.Toth, G.B.Vertessy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.91 / 1.97
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	55.052, 55.052, 83.827, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 21.1

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Tuberculosis Dutpase R140K, H145W Mutant (pdb code 5edd). 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 Mycobacterium Tuberculosis Dutpase R140K, H145W Mutant, PDB code: 5edd:

Magnesium binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis Dutpase R140K, H145W Mutant


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 Mycobacterium Tuberculosis Dutpase R140K, H145W Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:25.1 occ:1.00 O A:HOH377 2.0 17.0 1.0 O1A A:DUP202 2.1 23.0 1.0 O2G A:DUP202 2.1 24.3 1.0 O1B A:DUP202 2.2 21.7 1.0 PB A:DUP202 3.3 21.9 1.0 PA A:DUP202 3.3 22.4 1.0 PG A:DUP202 3.3 26.7 1.0 O3B A:DUP202 3.7 23.9 1.0 N3A A:DUP202 3.7 21.0 1.0 O1G A:DUP202 4.0 24.6 1.0 O A:HOH310 4.0 30.2 1.0 O2A A:DUP202 4.3 21.3 1.0 O5' A:DUP202 4.4 19.4 1.0 C5' A:DUP202 4.5 17.9 1.0 O3G A:DUP202 4.5 26.4 1.0 O A:HOH302 4.7 35.1 1.0 O A:HOH341 4.7 19.0 1.0 O2B A:DUP202 4.7 16.0 1.0

G.N.Nagy, R.Suardiaz, A.Lopata, O.Ozohanics, K.Vekey, B.R.Brooks, I.Leveles, J.Toth, B.G.Vertessy, E.Rosta. Structural Characterization of Arginine Fingers: Identification of An Arginine Finger For the Pyrophosphatase Dutpases. J. Am. Chem. Soc. V. 138 15035 2016.
ISSN: ESSN 1520-5126
PubMed: 27740761
DOI: 10.1021/JACS.6B09012