Magnesium in PDB 5bsu: Crystal Structure of 4-Coumarate:Coa Ligase Complexed with Caffeoyl Adenylate

All present enzymatic activity of Crystal Structure of 4-Coumarate:Coa Ligase Complexed with Caffeoyl Adenylate:
6.2.1.12;

The structure of Crystal Structure of 4-Coumarate:Coa Ligase Complexed with Caffeoyl Adenylate, PDB code: 5bsu was solved by Z.Li, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.75
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	82.348, 82.348, 181.678, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.3

The binding sites of Magnesium atom in the Crystal Structure of 4-Coumarate:Coa Ligase Complexed with Caffeoyl Adenylate (pdb code 5bsu). 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 4-Coumarate:Coa Ligase Complexed with Caffeoyl Adenylate, PDB code: 5bsu:

Magnesium binding site 1 out of 1 in the Crystal Structure of 4-Coumarate:Coa Ligase Complexed with Caffeoyl Adenylate


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 4-Coumarate:Coa Ligase Complexed with Caffeoyl Adenylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:11.2 occ:1.00 O A:ILE178 2.3 17.9 1.0 O A:HOH1037 2.3 26.5 1.0 O A:HOH1074 2.3 27.5 1.0 O A:HOH727 2.4 18.1 1.0 O A:HOH1173 3.1 42.0 1.0 C A:ILE178 3.5 18.1 1.0 N A:ILE178 4.3 20.7 1.0 N A:GLN179 4.4 16.8 1.0 CA A:GLN179 4.4 16.6 1.0 O A:HOH1196 4.4 33.2 1.0 CA A:ILE178 4.5 18.8 1.0 O A:HIS24 4.5 14.3 1.0 O A:HOH966 4.6 28.9 1.0 CD A:PRO180 4.7 14.7 1.0 O A:HOH789 4.7 42.9 1.0 O A:HOH1078 4.8 17.4 1.0 C A:GLU177 4.9 22.6 1.0 CB A:ILE178 5.0 18.7 1.0

Z.Li, S.K.Nair. Structural Basis For Specificity and Flexibility in A Plant 4-Coumarate:Coa Ligase. Structure V. 23 2032 2015.
ISSN: ISSN 0969-2126
PubMed: 26412334
DOI: 10.1016/J.STR.2015.08.012