Magnesium in PDB 4ndr: Crystal Structure Molybdenum Storage Protein with Fully Mo-Loaded Cavity

The structure of Crystal Structure Molybdenum Storage Protein with Fully Mo-Loaded Cavity, PDB code: 4ndr was solved by J.Poppe, E.Warkentin, U.Demmer, U.Ermler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	114.270, 114.270, 234.140, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 19.1

The structure of Crystal Structure Molybdenum Storage Protein with Fully Mo-Loaded Cavity also contains other interesting chemical elements:

Molybdenum

(Mo)

38 atoms

The binding sites of Magnesium atom in the Crystal Structure Molybdenum Storage Protein with Fully Mo-Loaded Cavity (pdb code 4ndr). 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 Crystal Structure Molybdenum Storage Protein with Fully Mo-Loaded Cavity, PDB code: 4ndr:

Magnesium binding site 1 out of 1 in the Crystal Structure Molybdenum Storage Protein with Fully Mo-Loaded Cavity


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure Molybdenum Storage Protein with Fully Mo-Loaded Cavity within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:25.1 occ:1.00 O2B A:ATP301 2.0 26.9 1.0 O A:PRO227 2.0 24.4 1.0 O2A A:ATP301 2.0 25.6 1.0 OE2 A:GLU190 2.2 30.7 1.0 O A:HOH439 2.3 20.9 1.0 O A:HOH437 2.3 19.8 1.0 CD A:GLU190 3.1 36.6 1.0 C A:PRO227 3.2 25.0 1.0 PA A:ATP301 3.2 25.9 1.0 PB A:ATP301 3.2 21.2 1.0 OE1 A:GLU190 3.3 37.4 1.0 O3A A:ATP301 3.5 32.1 1.0 O A:HOH413 3.8 27.8 1.0 OD2 A:ASP171 3.9 32.1 1.0 CA A:PRO227 4.0 28.5 1.0 O B:HOH414 4.0 27.5 1.0 NZ A:LYS45 4.1 23.5 1.0 O A:HOH423 4.1 24.6 1.0 O3G A:ATP301 4.2 26.2 1.0 O3B A:ATP301 4.2 22.2 1.0 N A:VAL228 4.2 25.1 1.0 O5' A:ATP301 4.2 29.7 1.0 C5' A:ATP301 4.2 25.5 1.0 OD1 A:ASP171 4.2 27.8 1.0 CB A:PRO227 4.3 30.9 1.0 CA A:VAL228 4.3 25.8 1.0 O1A A:ATP301 4.3 29.7 1.0 O1B A:ATP301 4.4 24.8 1.0 CG A:GLU190 4.5 33.6 1.0 CG A:ASP171 4.5 28.2 1.0 PG A:ATP301 4.7 23.2 1.0 CG1 A:VAL228 4.9 27.0 1.0 O A:HOH466 4.9 25.4 1.0 O1G A:ATP301 5.0 20.1 1.0

J.Poppe, E.Warkentin, U.Demmer, B.Kowalewski, T.Dierks, K.Schneider, U.Ermler. Structural Diversity of Polyoxomolybdate Clusters Along the Three-Fold Axis of the Molybdenum Storage Protein. J.Inorg.Biochem. V. 138 122 2014.
ISSN: ISSN 0162-0134
PubMed: 24945101
DOI: 10.1016/J.JINORGBIO.2014.05.009