Magnesium in PDB 2xan: Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5

All present enzymatic activity of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5:
2.7.1.158;

The structure of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5, PDB code: 2xan was solved by B.Gonzalez, J.I.Banos-Sanz, M.Villate, C.A.Brearley, J.Sanz-Aparicio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	140.03 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.418, 113.429, 140.472, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 27.7

The structure of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5 (pdb code 2xan). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5, PDB code: 2xan:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1438 b:31.1 occ:1.00 O1G A:ANP600 2.3 25.7 1.0 OD1 A:ASP407 2.3 16.7 1.0 OG A:SER409 2.6 20.7 1.0 O2B A:ANP600 2.6 21.7 1.0 O A:HOH2110 2.6 13.1 1.0 PG A:ANP600 3.3 26.8 1.0 CB A:SER409 3.3 19.6 1.0 CG A:ASP407 3.4 18.4 1.0 O3G A:ANP600 3.6 25.7 1.0 PB A:ANP600 3.6 21.3 1.0 N3B A:ANP600 3.7 23.7 1.0 OD2 A:ASP407 3.7 20.4 1.0 NH2 A:ARG40 3.8 26.1 1.0 CB A:ALA21 3.9 14.2 1.0 O43 A:5MY500 4.3 18.4 1.0 OD1 A:ASN22 4.4 17.2 1.0 O1B A:ANP600 4.4 21.5 1.0 O23 A:5MY500 4.6 16.0 1.0 CA A:SER409 4.6 19.8 1.0 NZ A:LYS411 4.7 13.4 1.0 O A:HOH2108 4.7 17.3 1.0 CB A:ASP407 4.7 18.1 1.0 O2G A:ANP600 4.7 24.3 1.0 N A:SER409 4.7 19.7 1.0 O A:ASP407 4.8 18.3 1.0 O3A A:ANP600 4.9 22.8 1.0 CA A:ASP407 5.0 18.1 1.0 C A:ASP407 5.0 18.4 1.0

Magnesium binding site 2 out of 2 in the Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with Amp Pnp and IP5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1439 b:41.4 occ:1.00 OG B:SER409 2.2 16.7 1.0 OD1 B:ASP407 2.4 15.6 1.0 O B:HOH2128 2.4 15.2 1.0 O B:HOH2136 2.5 14.7 1.0 O1G B:ANP600 2.6 25.0 1.0 O2B B:ANP600 2.6 21.0 1.0 CB B:SER409 3.3 15.8 1.0 CG B:ASP407 3.3 16.1 1.0 PG B:ANP600 3.5 26.2 1.0 PB B:ANP600 3.6 18.2 1.0 OD2 B:ASP407 3.7 19.4 1.0 N3B B:ANP600 3.7 22.8 1.0 O3G B:ANP600 3.7 25.4 1.0 CB B:ALA21 4.1 14.7 1.0 O43 B:5MY500 4.2 19.2 1.0 NH1 B:ARG40 4.3 28.6 1.0 OD1 B:ASN22 4.4 17.8 1.0 NZ B:LYS411 4.4 14.6 1.0 O1B B:ANP600 4.5 19.1 1.0 O23 B:5MY500 4.5 19.4 1.0 CA B:SER409 4.5 15.7 1.0 N B:SER409 4.6 16.0 1.0 CB B:ASP407 4.7 15.1 1.0 O B:HOH2107 4.7 17.5 1.0 O B:ASP407 4.9 15.6 1.0 OD2 B:ASP368 4.9 12.0 1.0 O3A B:ANP600 4.9 19.0 1.0 O2G B:ANP600 4.9 22.6 1.0 P3 B:5MY500 4.9 19.4 1.0 CA B:ASP407 5.0 15.1 1.0

B.Gonzalez, J.I.Banos-Sanz, M.Villate, C.A.Brearley, J.Sanz-Aparicio. Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase Is A Distant Ipk Member with A Singular Inositide Binding Site For Axial 2-Oh Recognition. Proc.Natl.Acad.Sci.Usa V. 107 9608 2010.
ISSN: ISSN 0027-8424
PubMed: 20453199
DOI: 10.1073/PNAS.0912979107