Magnesium in PDB 6ulw: Adenylation, Ketoreductase, and Pseudo Asub Multidomain Structure of A Keto Acid-Selecting Nrps Module

The structure of Adenylation, Ketoreductase, and Pseudo Asub Multidomain Structure of A Keto Acid-Selecting Nrps Module, PDB code: 6ulw was solved by D.A.Alonzo, J.Wang, C.Chiche-Lapierre, T.M.Schmeing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.11 / 3.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	141.660, 143.660, 431.870, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 27.5

The structure of Adenylation, Ketoreductase, and Pseudo Asub Multidomain Structure of A Keto Acid-Selecting Nrps Module also contains other interesting chemical elements:

Calcium

(Ca)

8 atoms

The binding sites of Magnesium atom in the Adenylation, Ketoreductase, and Pseudo Asub Multidomain Structure of A Keto Acid-Selecting Nrps Module (pdb code 6ulw). 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 Adenylation, Ketoreductase, and Pseudo Asub Multidomain Structure of A Keto Acid-Selecting Nrps Module, PDB code: 6ulw:

Magnesium binding site 1 out of 1 in the Adenylation, Ketoreductase, and Pseudo Asub Multidomain Structure of A Keto Acid-Selecting Nrps Module


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Adenylation, Ketoreductase, and Pseudo Asub Multidomain Structure of A Keto Acid-Selecting Nrps Module within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1401 b:0.4 occ:1.00 HE1 D:HIS732 2.5 0.2 1.0 CE1 D:HIS732 3.4 0.6 1.0 ND1 D:HIS732 4.0 0.8 1.0 NE2 D:HIS732 4.5 0.2 1.0 HE2 D:HIS732 4.7 0.7 1.0

D.A.Alonzo, C.Chiche-Lapierre, J.Wang, M.J.Tarry, T.M.Schmeing. Structural Basis of Keto Acid Utilization in Nonribosomal Depsipeptide Synthesis Nat.Chem.Biol. 2020.
ISSN: ESSN 1552-4469
DOI: 10.1038/S41589-020-0481-5