Magnesium in PDB 4f6t: The Crystal Structure of the Molybdenum Storage Protein (Mosto) From Azotobacter Vinelandii Loaded with Various Polyoxometalates

The structure of The Crystal Structure of the Molybdenum Storage Protein (Mosto) From Azotobacter Vinelandii Loaded with Various Polyoxometalates, PDB code: 4f6t was solved by B.Kowalewski, J.Poppe, K.Schneider, U.Demmer, E.Warkentin, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.00 / 1.60
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	115.740, 115.740, 233.620, 90.00, 90.00, 120.00
R / Rfree (%)	13.9 / 17.3

The structure of The Crystal Structure of the Molybdenum Storage Protein (Mosto) From Azotobacter Vinelandii Loaded with Various Polyoxometalates also contains other interesting chemical elements:

Molybdenum

(Mo)

23 atoms

The binding sites of Magnesium atom in the The Crystal Structure of the Molybdenum Storage Protein (Mosto) From Azotobacter Vinelandii Loaded with Various Polyoxometalates (pdb code 4f6t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of the Molybdenum Storage Protein (Mosto) From Azotobacter Vinelandii Loaded with Various Polyoxometalates, PDB code: 4f6t:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Crystal Structure of the Molybdenum Storage Protein (Mosto) From Azotobacter Vinelandii Loaded with Various Polyoxometalates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of the Molybdenum Storage Protein (Mosto) From Azotobacter Vinelandii Loaded with Various Polyoxometalates within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg304 b:27.6 occ:1.00 O B:HOH656 2.2 32.6 1.0 O B:SER147 2.4 14.3 1.0 O12 B:8M0302 2.4 12.2 0.6 O19 B:8M0302 2.5 14.4 0.6 O B:MET149 2.5 17.8 1.0 O21 B:8M0302 2.5 12.7 0.6 O B:HOH427 3.4 21.6 1.0 C B:SER147 3.5 13.8 1.0 O11 B:8M0302 3.6 11.3 0.6 C B:MET149 3.7 14.9 1.0 N B:MET149 3.7 13.4 1.0 MO4 B:8M0302 3.8 13.1 0.6 O B:HOH560 3.8 40.1 1.0 MO6 B:8M0302 3.9 14.6 0.6 MO7 B:8M0302 4.0 13.2 0.6 O B:HOH561 4.1 30.8 1.0 CB B:SER147 4.1 16.3 1.0 C B:GLY148 4.2 14.1 1.0 CA B:MET149 4.3 14.0 1.0 O17 B:8M0302 4.3 12.6 0.6 N B:GLY148 4.4 13.3 1.0 CA B:SER147 4.4 13.5 1.0 O B:HOH502 4.4 39.1 1.0 O26 B:8M0302 4.4 14.3 0.6 OG B:SER147 4.5 23.2 1.0 CA B:GLY148 4.5 13.4 1.0 O27 B:8M0302 4.7 28.9 1.0 N B:SER147 4.7 12.4 1.0 O B:HOH449 4.7 22.9 1.0 CB B:MET149 4.7 15.4 1.0 N B:PRO150 4.8 14.3 1.0 O14 B:8M0302 4.8 15.5 0.6 O B:GLY148 4.9 15.6 1.0 O7 B:8M0302 4.9 9.8 0.6 CA B:PRO150 5.0 13.6 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of the Molybdenum Storage Protein (Mosto) From Azotobacter Vinelandii Loaded with Various Polyoxometalates


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of the Molybdenum Storage Protein (Mosto) From Azotobacter Vinelandii Loaded with Various Polyoxometalates within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:15.2 occ:1.00 O A:PRO227 2.0 15.2 1.0 O2A A:ATP301 2.0 14.7 1.0 O2B A:ATP301 2.1 13.4 1.0 OE2 A:GLU190 2.1 14.1 1.0 O A:HOH433 2.1 13.9 1.0 O A:HOH430 2.1 14.1 1.0 CD A:GLU190 3.1 17.9 1.0 C A:PRO227 3.2 15.0 1.0 PA A:ATP301 3.3 16.1 1.0 PB A:ATP301 3.3 14.5 1.0 OE1 A:GLU190 3.4 20.7 1.0 O3A A:ATP301 3.5 17.5 1.0 O B:HOH415 3.9 15.8 1.0 OD2 A:ASP171 4.0 14.5 1.0 CA A:PRO227 4.1 16.1 1.0 O A:HOH405 4.1 16.2 1.0 NZ A:LYS45 4.1 12.1 1.0 O3G A:ATP301 4.2 12.7 1.0 N A:VAL228 4.2 15.1 1.0 OD1 A:ASP171 4.2 13.8 1.0 O A:HOH414 4.2 17.9 1.0 O3B A:ATP301 4.3 14.7 1.0 O5' A:ATP301 4.3 20.2 1.0 C5' A:ATP301 4.3 19.2 1.0 O1A A:ATP301 4.3 20.6 1.0 CB A:PRO227 4.4 17.1 1.0 O1B A:ATP301 4.4 14.9 1.0 CA A:VAL228 4.4 13.8 1.0 CG A:GLU190 4.5 14.7 1.0 CG A:ASP171 4.5 13.2 1.0 PG A:ATP301 4.8 12.6 1.0 O A:HOH460 4.9 18.0 1.0 CG1 A:VAL228 5.0 14.2 1.0

B.Kowalewski, J.Poppe, U.Demmer, E.Warkentin, T.Dierks, U.Ermler, K.Schneider. Nature'S Polyoxometalate Chemistry: X-Ray Structure of the Mo Storage Protein Loaded with Discrete Polynuclear Mo-O Clusters. J.Am.Chem.Soc. V. 134 9768 2012.
ISSN: ISSN 0002-7863
PubMed: 22612644
DOI: 10.1021/JA303084N