Zinc 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:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc 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 Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn700 b:22.6 occ:1.00 ND1 A:HIS320 2.0 18.6 1.0 NE2 A:HIS346 2.0 21.4 1.0 SG A:CYS330 2.2 25.2 1.0 SG A:CYS333 2.3 26.7 1.0 CE1 A:HIS320 2.8 17.5 1.0 CE1 A:HIS346 3.0 21.3 1.0 CD2 A:HIS346 3.0 22.6 1.0 CB A:CYS330 3.1 26.9 1.0 CG A:HIS320 3.1 16.6 1.0 CB A:CYS333 3.4 29.9 1.0 CB A:HIS320 3.7 15.8 1.0 N A:CYS333 3.8 29.5 1.0 NE2 A:HIS320 4.0 17.4 1.0 ND1 A:HIS346 4.1 21.2 1.0 CG A:HIS346 4.1 23.4 1.0 CD2 A:HIS320 4.2 16.9 1.0 CA A:HIS320 4.2 15.9 1.0 CA A:CYS333 4.2 30.2 1.0 CA A:CYS330 4.6 26.7 1.0 CB A:ILE332 4.7 27.8 1.0 OE1 A:GLU342 4.7 44.7 1.0 C A:ILE332 4.8 28.8 1.0 O A:HIS320 5.0 15.7 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn700 b:43.4 occ:1.00 NE2 B:HIS346 2.1 28.9 1.0 ND1 B:HIS320 2.2 18.4 1.0 SG B:CYS330 2.2 30.6 1.0 SG B:CYS333 2.5 39.7 1.0 CE1 B:HIS346 2.9 29.6 1.0 CB B:CYS330 2.9 30.4 1.0 CD2 B:HIS346 3.1 30.4 1.0 CE1 B:HIS320 3.2 18.1 1.0 CG B:HIS320 3.2 16.8 1.0 CB B:CYS333 3.2 39.4 1.0 CB B:HIS320 3.5 16.8 1.0 N B:CYS333 3.6 38.7 1.0 CA B:CYS333 3.9 39.6 1.0 ND1 B:HIS346 4.0 30.5 1.0 CA B:HIS320 4.1 16.8 1.0 CG B:HIS346 4.2 31.0 1.0 NE2 B:HIS320 4.3 16.7 1.0 CD2 B:HIS320 4.3 17.1 1.0 CA B:CYS330 4.4 30.6 1.0 C B:ILE332 4.6 37.6 1.0 O B:HIS320 4.7 17.2 1.0 CB B:ILE332 4.8 36.8 1.0 C B:CYS330 4.8 31.3 1.0 N B:ILE332 4.8 35.8 1.0 C B:HIS320 4.9 17.0 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