Magnesium in PDB 3uyl: Spinosyn Rhamnosyltransferase Spng Complexed with Thymidine Diphosphate

The structure of Spinosyn Rhamnosyltransferase Spng Complexed with Thymidine Diphosphate, PDB code: 3uyl was solved by E.A.Isiorho, H.-W.Liu, A.T.Keatinge-Clay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.62 / 1.85
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	54.152, 57.629, 68.203, 81.63, 73.79, 85.74
R / Rfree (%)	23.2 / 29.1

The binding sites of Magnesium atom in the Spinosyn Rhamnosyltransferase Spng Complexed with Thymidine Diphosphate (pdb code 3uyl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Spinosyn Rhamnosyltransferase Spng Complexed with Thymidine Diphosphate, PDB code: 3uyl:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Spinosyn Rhamnosyltransferase Spng Complexed with Thymidine Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Spinosyn Rhamnosyltransferase Spng Complexed with Thymidine Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:26.0 occ:1.00 O A:HOH703 1.9 73.4 1.0 O A:HOH582 2.0 20.6 1.0 O A:HOH541 2.1 24.4 1.0 O A:HOH597 2.2 34.4 1.0 O A:HOH531 3.9 22.2 1.0 O A:ALA187 4.3 14.0 1.0 O A:HOH704 4.3 84.8 1.0 O A:SER188 4.6 22.1 1.0 O A:PRO183 4.6 12.8 1.0 CA A:SER188 4.7 20.4 1.0 O A:GLN186 4.7 16.3 1.0 CB A:GLN186 4.9 13.1 1.0 O A:HOH524 4.9 51.5 1.0

Magnesium binding site 2 out of 2 in the Spinosyn Rhamnosyltransferase Spng Complexed with Thymidine Diphosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Spinosyn Rhamnosyltransferase Spng Complexed with Thymidine Diphosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:0.6 occ:1.00 O B:HOH708 3.2 29.2 1.0 O B:HOH707 3.6 26.0 1.0 O B:HOH612 3.7 22.4 1.0 CB B:ALA242 3.8 13.9 1.0 O B:HOH704 4.2 27.6 1.0 CA B:ALA242 4.4 14.2 1.0 O B:HOH705 4.4 23.3 1.0 O B:HOH706 4.9 19.8 1.0

E.A.Isiorho, H.W.Liu, A.T.Keatinge-Clay. Structural Studies of the Spinosyn Rhamnosyltransferase, Spng. Biochemistry V. 51 1213 2012.
ISSN: ISSN 0006-2960
PubMed: 22283226
DOI: 10.1021/BI201860Q