Magnesium in PDB 7zse: Molybdenum Storage Protein in Complex with Polyoxotungstates in the in-Vitro State

The structure of Molybdenum Storage Protein in Complex with Polyoxotungstates in the in-Vitro State, PDB code: 7zse was solved by U.Ermler, I.Aziz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.96 / 1.40
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	115.39, 115.39, 234.34, 90, 90, 120
R / Rfree (%)	20 / 21.2

The structure of Molybdenum Storage Protein in Complex with Polyoxotungstates in the in-Vitro State also contains other interesting chemical elements:

Tungsten

(W)

30 atoms

The binding sites of Magnesium atom in the Molybdenum Storage Protein in Complex with Polyoxotungstates in the in-Vitro State (pdb code 7zse). 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 Molybdenum Storage Protein in Complex with Polyoxotungstates in the in-Vitro State, PDB code: 7zse:

Magnesium binding site 1 out of 1 in the Molybdenum Storage Protein in Complex with Polyoxotungstates in the in-Vitro State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Molybdenum Storage Protein in Complex with Polyoxotungstates in the in-Vitro State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:23.4 occ:1.00 O2B A:ATP302 2.0 21.8 1.0 O A:PRO227 2.0 23.3 1.0 O2A A:ATP302 2.1 23.0 1.0 O A:HOH421 2.1 23.8 1.0 O A:HOH439 2.1 22.0 1.0 OE2 A:GLU190 2.1 24.0 1.0 CD A:GLU190 3.1 32.3 1.0 PA A:ATP302 3.2 22.9 1.0 C A:PRO227 3.3 22.4 1.0 PB A:ATP302 3.3 22.2 1.0 OE1 A:GLU190 3.4 28.1 1.0 H5'2 A:ATP302 3.5 29.9 1.0 O3A A:ATP302 3.6 25.8 1.0 HA A:VAL228 3.7 26.4 1.0 HB2 A:PRO227 3.7 31.8 1.0 HZ2 A:LYS45 3.7 26.3 1.0 O B:HOH432 3.9 24.4 1.0 HA A:PRO227 3.9 30.6 1.0 HZ3 A:LYS45 4.0 26.3 1.0 OD2 A:ASP171 4.0 24.0 1.0 CA A:PRO227 4.0 25.5 1.0 HZ1 A:LYS45 4.1 26.3 1.0 O A:HOH473 4.1 23.7 1.0 NZ A:LYS45 4.1 21.9 1.0 O3G A:ATP302 4.2 20.0 1.0 N A:VAL228 4.2 25.4 1.0 C5' A:ATP302 4.3 25.0 1.0 OD1 A:ASP171 4.3 22.2 1.0 O3B A:ATP302 4.3 21.4 1.0 O A:HOH509 4.3 26.6 1.0 O5' A:ATP302 4.3 29.6 1.0 O1A A:ATP302 4.3 27.4 1.0 CB A:PRO227 4.4 26.5 1.0 O1B A:ATP302 4.4 23.1 1.0 CA A:VAL228 4.4 22.0 1.0 HG12 A:VAL228 4.4 29.5 1.0 CG A:GLU190 4.5 27.4 1.0 CG A:ASP171 4.6 22.9 1.0 HG3 A:GLU190 4.6 32.9 1.0 H5'1 A:ATP302 4.6 29.9 1.0 HG13 A:VAL228 4.7 29.5 1.0 PG A:ATP302 4.8 21.1 1.0 HG2 A:GLU190 4.8 32.9 1.0 HB3 A:PRO227 4.8 31.8 1.0 O A:HOH469 4.9 25.5 1.0 CG1 A:VAL228 5.0 24.6 1.0 HG21 A:ILE188 5.0 25.7 1.0

I.Aziz, S.Kaltwasser, K.Kayastha, R.Khera, J.Vonck, U.Ermler. The Molybdenum Storage Protein Forms and Deposits Distinct Polynuclear Tungsten Oxygen Aggregates. J.Inorg.Biochem. V. 234 11904 2022.
ISSN: ISSN 0162-0134
PubMed: 35779405
DOI: 10.1016/J.JINORGBIO.2022.111904