Magnesium in PDB 5mqw: High-Speed Fixed-Target Serial Virus Crystallography

The structure of High-Speed Fixed-Target Serial Virus Crystallography, PDB code: 5mqw was solved by P.Roedig, H.M.Ginn, T.Pakendorf, G.Sutton, K.Harlos, T.S.Walter, J.Meyer, P.Fischer, R.Duman, I.Vartiainen, B.Reime, M.Warmer, A.S.Brewster, I.D.Young, T.Michels-Clark, N.K.Sauter, M.Sikorsky, S.Nelson, D.S.Damiani, R.Alonso-Mori, J.Ren, E.E.Fry, C.David, D.I.Stuart, A.Wagner, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.68 / 2.40
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	102.800, 102.800, 102.800, 90.00, 90.00, 90.00
R / Rfree (%)	11.2 / 14.6

The structure of High-Speed Fixed-Target Serial Virus Crystallography also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the High-Speed Fixed-Target Serial Virus Crystallography (pdb code 5mqw). 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 High-Speed Fixed-Target Serial Virus Crystallography, PDB code: 5mqw:

Magnesium binding site 1 out of 1 in the High-Speed Fixed-Target Serial Virus Crystallography


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of High-Speed Fixed-Target Serial Virus Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:45.4 occ:1.00 O2G A:GTP302 2.0 35.4 0.7 O2B A:GTP302 2.2 41.1 0.7 O A:HOH595 2.4 27.8 1.0 O A:HOH448 2.6 39.2 1.0 O2A A:GTP302 2.8 38.0 0.7 PG A:GTP302 3.3 36.8 0.7 PB A:GTP302 3.4 37.7 0.7 O3B A:GTP302 3.8 48.0 0.7 NH1 A:ARG18 3.9 24.2 1.0 O1G A:GTP302 3.9 35.4 0.7 PA A:GTP302 4.0 30.8 0.7 O3A A:GTP302 4.1 37.3 0.7 O A:GLY246 4.3 19.3 1.0 O A:HOH490 4.4 31.8 1.0 O3G A:GTP302 4.5 30.7 0.7 O A:HOH534 4.5 30.1 1.0 O1B A:GTP302 4.7 35.2 0.7 O1A A:GTP302 4.7 29.8 0.7 CG A:ARG247 4.7 21.1 1.0 CA A:ARG247 4.7 20.8 1.0

P.Roedig, H.M.Ginn, T.Pakendorf, G.Sutton, K.Harlos, T.S.Walter, J.Meyer, P.Fischer, R.Duman, I.Vartiainen, B.Reime, M.Warmer, A.S.Brewster, I.D.Young, T.Michels-Clark, N.K.Sauter, A.Kotecha, J.Kelly, D.J.Rowlands, M.Sikorsky, S.Nelson, D.S.Damiani, R.Alonso-Mori, J.Ren, E.E.Fry, C.David, D.I.Stuart, A.Wagner, A.Meents. High-Speed Fixed-Target Serial Virus Crystallography. Nat. Methods V. 14 805 2017.
ISSN: ESSN 1548-7105
PubMed: 28628129
DOI: 10.1038/NMETH.4335