Magnesium in PDB 2y4g: Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group

The structure of Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group, PDB code: 2y4g 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)	134.54 / 2.03
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.020, 130.400, 134.540, 90.00, 90.00, 90.00
R / Rfree (%)	15.886 / 23.566

The structure of Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Magnesium atom in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group (pdb code 2y4g). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group, PDB code: 2y4g:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 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 Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg700 b:24.7 occ:1.00 CL A:CL1503 2.7 53.6 1.0 O B:HOH2258 2.8 28.8 1.0 O A:HOH2027 3.0 14.4 1.0 CB B:ARG323 3.7 16.1 1.0 CG B:ARG323 3.7 16.8 1.0 CG A:ASP124 3.8 18.0 1.0 CZ B:ARG323 3.8 29.0 1.0 OD2 A:ASP124 3.9 18.8 1.0 NH2 B:ARG323 4.0 29.5 1.0 NE B:ARG323 4.0 25.5 1.0 OD1 A:ASP124 4.1 20.9 1.0 CB A:ASP124 4.1 14.3 1.0 OE1 A:GLU21 4.2 14.4 1.0 NH1 B:ARG323 4.2 30.0 1.0 O A:HOH2026 4.3 19.4 1.0 O B:HOH2255 4.5 14.3 1.0 CD B:ARG323 4.5 20.1 1.0 CD A:GLU21 4.5 12.8 1.0 O B:HOH2128 4.7 22.7 1.0 O B:HOH2256 4.8 16.8 1.0 O B:HOH2040 4.9 20.2 1.0 OE2 A:GLU21 4.9 11.5 1.0

Magnesium binding site 2 out of 4 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 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 Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg900 b:27.8 occ:1.00 O A:HOH2368 1.9 23.6 1.0 O A:HOH2249 1.9 26.2 1.0 O A:HOH2367 2.0 48.8 1.0 O5 A:TIR800 2.1 25.8 1.0 O6 A:TIR800 2.2 28.1 1.0 O A:HOH2250 2.2 36.4 1.0 C4 A:TIR800 3.1 26.4 1.0 C22 A:TIR800 3.1 26.6 1.0 C3 A:TIR800 3.4 25.6 1.0 OD2 A:ASP330 3.9 26.8 1.0 O A:ASP332 4.2 18.2 1.0 O A:HOH2251 4.2 37.4 1.0 OD1 A:ASP330 4.3 25.7 1.0 OG1 A:THR405 4.3 16.5 0.5 CG2 A:THR405 4.3 19.1 0.5 N A:TIR800 4.4 27.6 1.0 CG2 A:THR405 4.5 18.1 0.5 C5 A:TIR800 4.5 29.0 1.0 CG A:ASP330 4.6 24.3 1.0 OG1 A:THR405 4.6 17.2 0.5 C2 A:TIR800 4.8 27.8 1.0 CB A:THR405 4.8 18.1 0.5 CB A:THR405 4.9 18.2 0.5 C6 A:TIR800 4.9 31.1 1.0 O A:HOH2247 5.0 36.2 1.0

Magnesium binding site 3 out of 4 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg700 b:28.9 occ:1.00 O B:HOH2074 2.6 20.0 1.0 O B:HOH2022 2.9 17.2 1.0 O B:HOH2265 3.0 47.0 1.0 O A:HOH2241 3.1 27.3 1.0 CB A:ARG323 3.7 16.5 1.0 OD2 B:ASP124 3.8 19.8 1.0 CG B:ASP124 3.8 17.7 1.0 CG A:ARG323 4.0 17.1 1.0 NH2 A:ARG323 4.1 29.5 1.0 OE1 B:GLU21 4.2 16.9 1.0 CB B:ASP124 4.2 14.8 1.0 CZ A:ARG323 4.2 29.3 1.0 NE A:ARG323 4.2 27.1 1.0 OD1 B:ASP124 4.3 18.8 1.0 O B:HOH2020 4.5 17.9 1.0 CD B:GLU21 4.5 14.2 1.0 O A:HOH2238 4.5 13.4 1.0 O A:HOH2239 4.7 19.1 1.0 CD A:ARG323 4.9 21.6 1.0 O B:HOH2140 4.9 19.0 1.0 OE2 B:GLU21 4.9 13.5 1.0 NH1 A:ARG323 4.9 28.2 1.0 O B:HOH2266 4.9 19.2 1.0

Magnesium binding site 4 out of 4 in the Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of the Tirandamycin-Bound Fad-Dependent Tirandamycin Oxidase Taml in P212121 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg900 b:33.5 occ:1.00 O B:HOH2405 2.0 39.5 1.0 O5 B:TIR800 2.0 25.6 1.0 O B:HOH2406 2.0 38.5 1.0 O B:HOH2262 2.2 36.1 1.0 O B:HOH2321 2.3 40.6 1.0 O6 B:TIR800 2.4 29.5 1.0 C4 B:TIR800 3.0 27.1 1.0 C22 B:TIR800 3.2 27.6 1.0 C3 B:TIR800 3.4 26.4 1.0 OD2 B:ASP330 4.2 30.3 1.0 CG2 B:THR405 4.2 19.6 0.5 O B:HOH2267 4.3 43.2 1.0 CG2 B:THR405 4.3 18.3 0.5 O B:ASP332 4.3 21.3 1.0 C5 B:TIR800 4.4 26.5 1.0 OG1 B:THR405 4.4 16.0 0.5 O B:HOH2320 4.4 50.4 1.0 OG1 B:THR405 4.4 18.8 0.5 N B:TIR800 4.5 27.5 1.0 OD1 B:ASP330 4.6 27.1 1.0 CB B:THR405 4.7 19.2 0.5 CB B:THR405 4.7 18.4 0.5 O B:HOH2263 4.8 41.6 1.0 C6 B:TIR800 4.8 26.6 1.0 CG B:ASP330 4.8 25.7 1.0 C2 B:TIR800 4.9 27.0 1.0 O B:HOH2300 4.9 36.8 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