Magnesium in PDB 5xe5: Discovery and Structural Analysis of A Phloretin Hydrolase From the Opportunistic Pathogen Mycobacterium Abscessus

The structure of Discovery and Structural Analysis of A Phloretin Hydrolase From the Opportunistic Pathogen Mycobacterium Abscessus, PDB code: 5xe5 was solved by Y.X.He, J.T.Han, W.J.Jia, Z.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.79 / 2.17
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.185, 63.118, 74.916, 90.00, 103.33, 90.00
R / Rfree (%)	20.1 / 24.9

The binding sites of Magnesium atom in the Discovery and Structural Analysis of A Phloretin Hydrolase From the Opportunistic Pathogen Mycobacterium Abscessus (pdb code 5xe5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Discovery and Structural Analysis of A Phloretin Hydrolase From the Opportunistic Pathogen Mycobacterium Abscessus, PDB code: 5xe5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Discovery and Structural Analysis of A Phloretin Hydrolase From the Opportunistic Pathogen Mycobacterium Abscessus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Discovery and Structural Analysis of A Phloretin Hydrolase From the Opportunistic Pathogen Mycobacterium Abscessus within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:39.6 occ:1.00 OE2 A:GLU273 1.8 32.8 1.0 O2 A:EDO302 2.3 35.5 1.0 NE2 A:HIS269 2.3 31.8 1.0 OE1 A:GLU164 2.3 24.8 1.0 NE2 A:HIS133 2.8 24.4 1.0 CD A:GLU273 2.9 32.6 1.0 CD A:GLU164 3.2 30.8 1.0 CD2 A:HIS269 3.3 26.4 1.0 OE2 A:GLU164 3.3 32.8 1.0 CE1 A:HIS269 3.3 27.2 1.0 OE1 A:GLU273 3.4 29.8 1.0 C2 A:EDO302 3.6 30.6 1.0 CD2 A:HIS133 3.6 21.5 1.0 CE1 A:HIS133 3.8 19.8 1.0 OH A:TYR125 3.8 23.2 1.0 CG A:GLU273 4.1 34.7 1.0 C1 A:EDO302 4.4 31.1 1.0 CG A:HIS269 4.4 25.6 1.0 ND1 A:HIS269 4.4 25.6 1.0 CG A:GLU164 4.6 21.9 1.0 CG A:HIS133 4.8 22.4 1.0 CZ A:TYR125 4.8 21.9 1.0 ND1 A:HIS133 4.8 24.2 1.0

Magnesium binding site 2 out of 2 in the Discovery and Structural Analysis of A Phloretin Hydrolase From the Opportunistic Pathogen Mycobacterium Abscessus


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Discovery and Structural Analysis of A Phloretin Hydrolase From the Opportunistic Pathogen Mycobacterium Abscessus within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:52.7 occ:1.00 O B:HOH436 1.8 42.2 1.0 OE2 B:GLU273 2.4 48.3 1.0 CD B:GLU273 3.1 47.4 1.0 OE1 B:GLU273 3.2 50.0 1.0 OE2 B:GLU164 3.4 44.6 1.0 OE1 B:GLU164 3.5 40.2 1.0 NE2 B:HIS269 3.6 37.1 1.0 CD B:GLU164 3.9 41.1 1.0 NE2 B:HIS133 4.0 38.6 1.0 CD2 B:HIS269 4.1 34.0 1.0 OH B:TYR125 4.2 42.1 1.0 CG B:GLU273 4.5 44.6 1.0 CE1 B:HIS133 4.7 38.3 1.0 CE1 B:HIS269 4.7 35.6 1.0 CD2 B:HIS133 4.9 34.7 1.0

J.T.Han, S.P.Zhang, W.J.Jia, Z.Zhang, Y.Wang, Y.X.He. Discovery and Structural Analysis of A Phloretin Hydrolase From the Opportunistic Human Pathogen Mycobacterium Abscessus. Febs J. 2019.
ISSN: ISSN 1742-4658
PubMed: 30784195
DOI: 10.1111/FEBS.14792