Magnesium in PDB 7gqt: Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp

The structure of Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp, PDB code: 7gqt was solved by M.Classen, J.Benz, D.Brugger, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.66 / 2.21
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.227, 90.227, 54.002, 90, 102.82, 90
R / Rfree (%)	20.5 / 26.3

The structure of Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp (pdb code 7gqt). 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 of Werner Helicase Fragment 517-945 in Complex with Atp, PDB code: 7gqt:

Magnesium binding site 1 out of 1 in the Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1004 b:42.7 occ:1.00 O A:HOH1142 2.1 49.6 1.0 O A:HOH1101 2.1 52.6 1.0 O A:HOH1143 2.1 45.8 1.0 OG A:SER578 2.1 48.2 1.0 O2B A:ATP1002 2.2 41.3 1.0 O2G A:ATP1002 2.2 49.9 1.0 PB A:ATP1002 3.4 42.6 1.0 PG A:ATP1002 3.5 54.5 1.0 CB A:SER578 3.5 38.7 1.0 O3B A:ATP1002 3.5 46.9 1.0 NE2 A:GLN605 3.8 39.7 1.0 N A:SER578 4.0 34.6 1.0 O2A A:ATP1002 4.2 39.1 1.0 CA A:SER578 4.3 35.5 1.0 O3A A:ATP1002 4.3 40.8 1.0 CB A:LYS577 4.4 36.0 1.0 O3G A:ATP1002 4.4 43.8 1.0 O1B A:ATP1002 4.5 40.8 1.0 O1G A:ATP1002 4.5 45.8 1.0 NZ A:LYS577 4.7 45.6 1.0 PA A:ATP1002 4.8 39.4 1.0 CE A:LYS577 4.8 42.6 1.0 CD A:GLN605 4.8 38.4 1.0 O A:HOH1136 4.9 38.8 1.0 C A:LYS577 4.9 37.1 1.0

K.A.Baltgalvis, K.N.Lamb, K.T.Symons, C.C.Wu, M.A.Hoffman, A.N.Snead, X.Song, T.Glaza, S.Kikuchi, J.C.Green, D.C.Rogness, B.Lam, M.E.Rodriguez-Aguirre, D.R.Woody, C.L.Eissler, S.Rodiles, S.M.Negron, S.M.Bernard, E.Tran, J.Pollock, A.Tabatabaei, V.Contreras, H.N.Williams, M.K.Pastuszka, J.J.Sigler, P.Pettazzoni, M.G.Rudolph, M.Classen, D.Brugger, C.Claiborne, J.M.Plancher, I.Cuartas, J.Seoane, L.E.Burgess, R.T.Abraham, D.S.Weinstein, G.M.Simon, M.P.Patricelli, T.M.Kinsella. Chemoproteomic Discovery of A Covalent Allosteric Inhibitor of Wrn Helicase Nature 2024.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-024-07318-Y