Magnesium in PDB 6mbf: Gphf Dehydratase 1

The structure of Gphf Dehydratase 1, PDB code: 6mbf was solved by G.J.Dodge, J.L.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.42 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.900, 74.418, 86.836, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.2

The binding sites of Magnesium atom in the Gphf Dehydratase 1 (pdb code 6mbf). 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 Gphf Dehydratase 1, PDB code: 6mbf:

Magnesium binding site 1 out of 1 in the Gphf Dehydratase 1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Gphf Dehydratase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2001 b:20.7 occ:1.00 N A:GLY1745 3.2 14.6 1.0 O A:HOH2168 3.3 23.4 1.0 O A:HOH2254 3.3 16.5 1.0 O A:HOH2174 3.5 29.1 1.0 CD A:PRO1920 3.5 23.5 1.0 CD2 A:LEU1744 3.6 15.2 1.0 CA A:LEU1744 3.7 13.4 1.0 C A:LEU1744 4.0 13.4 1.0 CG1 A:VAL1919 4.1 31.5 1.0 CE1 A:HIS1735 4.1 15.9 1.0 CG A:PRO1920 4.2 26.1 1.0 CA A:GLY1745 4.2 14.6 1.0 CB A:LEU1744 4.3 16.8 1.0 O A:VAL1743 4.6 17.4 1.0 N A:PRO1920 4.6 18.7 1.0 CG A:LEU1744 4.6 17.3 1.0 NE2 A:HIS1735 4.7 15.6 1.0 O A:HOH2341 4.7 22.4 1.0 ND1 A:HIS1735 4.7 14.9 1.0 O A:HOH2362 4.8 45.1 1.0 O A:HOH2162 4.8 17.5 1.0 N A:LEU1744 4.9 14.4 1.0 CB A:VAL1919 5.0 27.6 1.0 CA A:VAL1919 5.0 25.2 1.0

G.J.Dodge, D.Ronnow, R.E.Taylor, J.L.Smith. Molecular Basis For Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase. Acs Chem. Biol. V. 13 2699 2018.
ISSN: ESSN 1554-8937
PubMed: 30179448
DOI: 10.1021/ACSCHEMBIO.8B00645