Magnesium in PDB 6fij: Structure of the Loading/Condensing Region (Sat-Ks-Mat) of the Cercosporin Fungal Non-Reducing Polyketide Synthase (Nr-Pks) CTB1

The structure of Structure of the Loading/Condensing Region (Sat-Ks-Mat) of the Cercosporin Fungal Non-Reducing Polyketide Synthase (Nr-Pks) CTB1, PDB code: 6fij was solved by D.A.Herbst, R.P.Jakob, C.A.Townsend, T.Maier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.45 / 2.77
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	108.050, 230.200, 253.800, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.1

The binding sites of Magnesium atom in the Structure of the Loading/Condensing Region (Sat-Ks-Mat) of the Cercosporin Fungal Non-Reducing Polyketide Synthase (Nr-Pks) CTB1 (pdb code 6fij). 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 Structure of the Loading/Condensing Region (Sat-Ks-Mat) of the Cercosporin Fungal Non-Reducing Polyketide Synthase (Nr-Pks) CTB1, PDB code: 6fij:

Magnesium binding site 1 out of 1 in the Structure of the Loading/Condensing Region (Sat-Ks-Mat) of the Cercosporin Fungal Non-Reducing Polyketide Synthase (Nr-Pks) CTB1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Loading/Condensing Region (Sat-Ks-Mat) of the Cercosporin Fungal Non-Reducing Polyketide Synthase (Nr-Pks) CTB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1407 b:53.2 occ:0.50 O B:GLN199 2.2 53.7 1.0 O B:THR196 2.5 54.7 1.0 O B:ALA197 2.6 52.5 1.0 HA B:ALA197 3.1 62.6 1.0 C B:ALA197 3.2 52.6 1.0 C B:GLN199 3.4 52.8 1.0 CA B:ALA197 3.6 52.2 1.0 C B:THR196 3.6 54.9 1.0 HA B:ALA200 3.6 70.1 1.0 H B:GLN199 4.0 64.3 1.0 N B:GLN199 4.0 53.6 1.0 N B:ALA197 4.0 52.0 1.0 N B:GLU198 4.2 54.4 1.0 H B:LEU201 4.2 66.4 1.0 N B:ALA200 4.3 55.8 1.0 HG22 B:THR196 4.3 72.0 1.0 CA B:GLN199 4.3 52.5 1.0 CA B:ALA200 4.3 58.4 1.0 C B:GLU198 4.3 56.3 1.0 H B:GLU198 4.7 65.3 1.0 CA B:GLU198 4.8 55.6 1.0 HA B:THR196 4.8 69.4 1.0 O B:GLU198 4.9 59.0 1.0 CA B:THR196 4.9 57.9 1.0 N B:LEU201 4.9 55.4 1.0 HA B:GLU198 4.9 66.8 1.0 H B:ALA197 4.9 62.5 1.0 HB2 B:GLN199 4.9 64.0 1.0 HG23 B:THR196 4.9 72.0 1.0 CB B:ALA197 5.0 53.4 1.0 HA B:GLN199 5.0 63.0 1.0

D.A.Herbst, C.R.Huitt-Roehl, R.P.Jakob, J.M.Kravetz, P.A.Storm, J.R.Alley, C.A.Townsend, T.Maier. The Structural Organization of Substrate Loading in Iterative Polyketide Synthases. Nat. Chem. Biol. V. 14 474 2018.
ISSN: ESSN 1552-4469
PubMed: 29610486
DOI: 10.1038/S41589-018-0026-3