Magnesium in PDB 8e1t: ASP1 Kinase in Complex with Adpnp Mg IP7

All present enzymatic activity of ASP1 Kinase in Complex with Adpnp Mg IP7:
2.7.4.24;

The structure of ASP1 Kinase in Complex with Adpnp Mg IP7, PDB code: 8e1t was solved by Y.Goldgur, S.Shuman, B.Benjamin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.44 / 1.71
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.602, 87.511, 85.988, 90, 94.78, 90
R / Rfree (%)	18.2 / 21.3

The binding sites of Magnesium atom in the ASP1 Kinase in Complex with Adpnp Mg IP7 (pdb code 8e1t). 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 ASP1 Kinase in Complex with Adpnp Mg IP7, PDB code: 8e1t:

Magnesium binding site 1 out of 1 in the ASP1 Kinase in Complex with Adpnp Mg IP7


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of ASP1 Kinase in Complex with Adpnp Mg IP7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:33.4 occ:1.00 O2A A:ANP401 2.0 30.2 1.0 OD2 A:ASP321 2.1 29.2 1.0 N3B A:ANP401 2.1 40.0 1.0 O3G A:ANP401 2.3 41.5 1.0 OD2 A:ASP333 2.4 31.0 1.0 PG A:ANP401 2.7 57.0 1.0 CG A:ASP321 3.3 27.0 1.0 CG A:ASP333 3.3 30.3 1.0 PA A:ANP401 3.3 33.7 1.0 PB A:ANP401 3.4 34.9 1.0 CB A:ASP333 3.5 22.3 1.0 O3A A:ANP401 3.5 30.2 1.0 O2G A:ANP401 3.7 43.9 1.0 O1G A:ANP401 4.0 48.7 1.0 OD1 A:ASP321 4.1 26.3 1.0 CB A:ASP321 4.1 16.9 1.0 NZ A:LYS260 4.2 32.3 1.0 OD1 A:ASN335 4.3 32.5 1.0 O1A A:ANP401 4.3 25.7 1.0 O1B A:ANP401 4.4 43.5 1.0 O5' A:ANP401 4.4 29.7 1.0 OD1 A:ASP333 4.4 29.5 1.0 ND2 A:ASN335 4.4 33.3 1.0 O2B A:ANP401 4.5 40.3 1.0 C5' A:ANP401 4.5 29.9 1.0 CE A:LYS260 4.7 33.5 1.0 CG A:ASN335 4.8 28.0 1.0 O3' A:ANP401 4.8 29.3 1.0

B.Benjamin, Y.Goldgur, N.Jork, H.J.Jessen, B.Schwer, S.Shuman. Structures of Fission Yeast Inositol Pyrophosphate Kinase ASP1 in Ligand-Free, Substrate-Bound, and Product-Bound States. Mbio V. 13 08722 2022.
ISSN: ESSN 2150-7511
PubMed: 36468882
DOI: 10.1128/MBIO.03087-22