Magnesium in PDB 2y3s: Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group

The structure of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group, PDB code: 2y3s was solved by J.C.Carlson, S.Li, S.S.Gunatilleke, Y.Anzai, D.A.Burr, L.M.Podust, D.H.Sherman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.76 / 1.67
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.046, 105.786, 70.971, 90.00, 110.67, 90.00
R / Rfree (%)	16.1 / 22

The structure of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Magnesium atom in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group (pdb code 2y3s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group, PDB code: 2y3s:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group


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 Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg800 b:18.8 occ:1.00 O6 A:TIR700 2.0 15.8 1.0 O A:HOH2350 2.1 23.1 1.0 O A:HOH2449 2.1 19.2 1.0 O A:HOH2293 2.1 18.8 1.0 O A:HOH2292 2.2 19.2 1.0 O5 A:TIR700 2.2 18.2 1.0 C22 A:TIR700 3.0 16.1 1.0 C4 A:TIR700 3.2 17.6 1.0 C3 A:TIR700 3.4 16.2 1.0 OD2 A:ASP330 4.1 19.6 1.0 O A:ASP332 4.1 19.1 1.0 N A:TIR700 4.2 16.0 1.0 O A:HOH2450 4.2 36.4 1.0 OD1 A:ASP330 4.3 17.0 1.0 O A:HOH2290 4.4 37.3 1.0 CG2 A:THR405 4.4 17.9 1.0 C5 A:TIR700 4.5 16.0 1.0 OG1 A:THR405 4.6 21.3 1.0 CG A:ASP330 4.7 17.7 1.0 CB A:ASP332 4.7 17.5 1.0 C2 A:TIR700 4.8 16.2 1.0 CB A:THR405 4.9 17.5 1.0 C6 A:TIR700 5.0 15.2 1.0

Magnesium binding site 2 out of 2 in the Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of the Tirandamycine-Bound Fad-Dependent Tirandamycin Oxidase Taml in C2 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg800 b:18.6 occ:1.00 O B:HOH2321 2.0 22.6 1.0 O B:HOH2429 2.0 26.0 1.0 O B:HOH2266 2.1 17.5 1.0 O6 B:TIR700 2.1 17.5 1.0 O B:HOH2268 2.1 19.4 1.0 O5 B:TIR700 2.2 20.9 1.0 C22 B:TIR700 3.0 17.6 1.0 C4 B:TIR700 3.2 17.9 1.0 C3 B:TIR700 3.4 18.5 1.0 OD2 B:ASP330 4.0 19.1 1.0 O B:ASP332 4.1 18.4 1.0 OD1 B:ASP330 4.2 15.8 1.0 O B:HOH2425 4.2 39.9 1.0 O B:HOH2428 4.2 37.7 1.0 N B:TIR700 4.3 17.5 1.0 O B:HOH2138 4.3 39.4 1.0 C5 B:TIR700 4.5 18.0 1.0 CG2 B:THR405 4.5 16.7 1.0 CG B:ASP330 4.5 16.7 1.0 OG1 B:THR405 4.6 18.7 1.0 CB B:ASP332 4.7 15.6 1.0 C2 B:TIR700 4.7 15.9 1.0 CB B:THR405 4.8 15.6 1.0 O B:HOH2267 5.0 36.8 1.0 C6 B:TIR700 5.0 16.1 1.0

J.C.Carlson, S.Li, S.S.Gunatilleke, Y.Anzai, D.A.Burr, L.M.Podust, D.H.Sherman. Tirandamycin Biosynthesis Is Mediated By Co-Dependent Oxidative Enzymes Nat.Chem V. 3 628 2011.
ISSN: ISSN 1755-4330
PubMed: 21778983
DOI: 10.1038/NCHEM.1087