Magnesium in PDB 5uxc: Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp

The structure of Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp, PDB code: 5uxc was solved by P.J.Stogios, T.Skarina, Z.Wawrzak, V.Yim, A.Savchenko, W.F.Anderson, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.24 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.556, 77.002, 94.409, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.7

The structure of Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp (pdb code 5uxc). 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 Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp, PDB code: 5uxc:

Magnesium binding site 1 out of 1 in the Crystal Structure of Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp


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 Macrolide 2'-Phosphotransferase Mphh From Brachybacterium Faecium in Complex with Gdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:13.3 occ:1.00 O2A A:GDP302 2.0 15.3 1.0 O A:HOH494 2.1 20.4 1.0 OD2 A:ASP214 2.1 20.5 1.0 NE2 A:HIS201 2.1 23.2 1.0 O A:HOH475 2.2 22.3 1.0 O1B A:GDP302 2.2 19.1 1.0 CE1 A:HIS201 2.9 19.6 1.0 CG A:ASP214 3.0 14.8 1.0 CD2 A:HIS201 3.1 21.0 1.0 PA A:GDP302 3.3 14.9 1.0 PB A:GDP302 3.4 17.2 1.0 CB A:ASP214 3.6 11.0 1.0 O3A A:GDP302 3.6 16.1 1.0 ND1 A:HIS201 4.0 11.1 1.0 OD1 A:ASP214 4.0 23.2 1.0 CG A:HIS201 4.1 19.6 1.0 O A:HOH472 4.1 38.9 1.0 OE1 A:GLU28 4.2 35.7 1.0 O1 A:PO4308 4.2 0.0 1.0 O1A A:GDP302 4.2 13.8 1.0 O A:HOH570 4.3 38.5 1.0 O2B A:GDP302 4.3 16.7 1.0 O5' A:GDP302 4.4 16.3 1.0 O A:HOH447 4.4 22.5 1.0 O A:HOH437 4.5 80.5 1.0 O3' A:GDP302 4.5 17.4 1.0 O3B A:GDP302 4.5 23.4 1.0 C5' A:GDP302 4.5 17.9 1.0 O A:HOH487 4.6 30.6 1.0 OE2 A:GLU196 4.7 46.0 1.0 O A:HOH425 4.7 30.8 1.0

A.C.Pawlowski, P.J.Stogios, K.Koteva, T.Skarina, E.Evdokimova, A.Savchenko, G.D.Wright. The Evolution of Substrate Discrimination in Macrolide Antibiotic Resistance Enzymes. Nat Commun V. 9 112 2018.
ISSN: ESSN 2041-1723
PubMed: 29317655
DOI: 10.1038/S41467-017-02680-0