Magnesium in PDB 4jql: Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams From Shikimic Acid

The structure of Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams From Shikimic Acid, PDB code: 4jql was solved by V.Jeso, S.Iqbal, P.Hernandez, M.D.Cameron, H.Park, P.V.Lograsso, G.C.Micalizio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.92 / 1.72
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.370, 44.490, 53.920, 90.00, 114.80, 90.00
R / Rfree (%)	16.8 / 19.6

The binding sites of Magnesium atom in the Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams From Shikimic Acid (pdb code 4jql). 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 Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams From Shikimic Acid, PDB code: 4jql:

Magnesium binding site 1 out of 1 in the Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams From Shikimic Acid


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Synthesis of Benzoquinone-Ansamycin-Inspired Macrocyclic Lactams From Shikimic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:44.5 occ:1.00 OD2 A:ASP54 1.8 16.7 0.6 O A:HOH598 2.0 33.2 1.0 O A:HOH444 2.1 23.9 1.0 O A:HOH494 2.3 33.0 1.0 CG A:ASP54 3.0 18.1 0.6 OD1 A:ASP54 3.5 28.1 0.6 O A:HOH425 3.9 20.7 1.0 O A:HOH515 4.0 45.0 1.0 OD2 A:ASP57 4.1 20.9 1.0 CB A:ASP54 4.2 17.3 0.6 OG A:SER53 4.3 19.9 1.0 O A:SER50 4.3 12.8 0.5 N A:ASP54 4.3 13.4 0.6 N A:ASP54 4.3 13.1 0.4 CA A:ASP54 4.3 16.4 0.6 CA A:ASP54 4.3 16.3 0.4 O A:SER50 4.3 12.9 0.5 CB A:ASP54 4.4 15.2 0.4 OG A:SER50 4.5 16.9 0.5 CB A:SER53 4.6 16.8 1.0 C A:SER53 4.8 15.8 1.0 OD1 A:ASP54 4.8 22.3 0.4

V.Jeso, S.Iqbal, P.Hernandez, M.D.Cameron, H.Park, P.V.Lograsso, G.C.Micalizio. Synthesis of Benzoquinone Ansamycin-Inspired Macrocyclic Lactams From Shikimic Acid. Angew.Chem.Int.Ed.Engl. V. 52 4800 2013.
ISSN: ISSN 1433-7851
PubMed: 23554224
DOI: 10.1002/ANIE.201301323