Magnesium in PDB 8t97: Crystal Structure of Terrestrivirus Inositol Pyrophosphatase Kinase in Complex with Adp and Scyllo-IP6

The structure of Crystal Structure of Terrestrivirus Inositol Pyrophosphatase Kinase in Complex with Adp and Scyllo-IP6, PDB code: 8t97 was solved by G.Zong, H.Wang, S.B.Shears, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.42 / 2.46
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	63.214, 103.123, 103.846, 90, 90, 90
R / Rfree (%)	18 / 22.8

The binding sites of Magnesium atom in the Crystal Structure of Terrestrivirus Inositol Pyrophosphatase Kinase in Complex with Adp and Scyllo-IP6 (pdb code 8t97). 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 Terrestrivirus Inositol Pyrophosphatase Kinase in Complex with Adp and Scyllo-IP6, PDB code: 8t97:

Magnesium binding site 1 out of 1 in the Crystal Structure of Terrestrivirus Inositol Pyrophosphatase Kinase in Complex with Adp and Scyllo-IP6


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 Terrestrivirus Inositol Pyrophosphatase Kinase in Complex with Adp and Scyllo-IP6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:39.5 occ:1.00 O A:HOH505 2.1 32.7 1.0 O1B A:ADP401 2.2 66.3 1.0 O1A A:ADP401 2.2 52.7 1.0 OD2 A:ASP231 2.2 31.6 1.0 O A:HOH501 2.2 50.9 1.0 O A:HOH511 2.4 43.0 1.0 O1 A:PO4404 3.0 123.1 1.0 CG A:ASP231 3.2 28.0 1.0 PB A:ADP401 3.3 59.0 1.0 PA A:ADP401 3.3 53.5 1.0 CB A:ASP231 3.5 26.9 1.0 O3A A:ADP401 3.6 58.2 1.0 O3B A:ADP401 3.8 59.1 1.0 OG A:SER213 4.1 23.6 1.0 O A:GLY211 4.1 34.7 1.0 O2A A:ADP401 4.2 53.5 1.0 P A:PO4404 4.2 123.3 1.0 OD1 A:ASP231 4.4 29.8 1.0 O21 A:KGN403 4.4 88.9 1.0 O2 A:PO4404 4.4 104.2 1.0 OD2 A:ASP126 4.5 28.9 1.0 O5' A:ADP401 4.6 50.8 1.0 O2B A:ADP401 4.6 66.8 1.0 O4 A:PO4404 4.7 99.9 1.0 CB A:SER213 4.8 23.3 1.0 C5' A:ADP401 4.9 45.9 1.0 O A:HOH508 5.0 54.4 1.0

G.Zong, H.Wang, S.B.Shears. Biochemical and Structural Characterization of A Giant Virus Inositol Pyrophosphate Kinase Embo J. 2023.
ISSN: ESSN 1460-2075