Zinc in PDB 2xao: Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with IP5

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

The structure of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with IP5, PDB code: 2xao 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)	88.74 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.761, 112.737, 144.454, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 29.1

The binding sites of Zinc atom in the Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with IP5 (pdb code 2xao). 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 IP5, PDB code: 2xao:
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 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 IP5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn700 b:40.9 occ:1.00 NE2 A:HIS346 2.0 39.7 1.0 ND1 A:HIS320 2.2 34.0 1.0 SG A:CYS333 2.2 54.0 1.0 SG A:CYS330 2.3 48.4 1.0 CE1 A:HIS346 2.9 39.9 1.0 CE1 A:HIS320 3.0 33.9 1.0 CD2 A:HIS346 3.1 41.0 1.0 CB A:CYS330 3.1 49.6 1.0 CG A:HIS320 3.3 33.6 1.0 CB A:CYS333 3.4 55.4 1.0 CB A:HIS320 3.7 33.0 1.0 N A:CYS333 3.8 54.6 1.0 ND1 A:HIS346 4.0 40.2 1.0 CG A:HIS346 4.1 42.8 1.0 CA A:CYS333 4.2 55.6 1.0 CA A:HIS320 4.2 32.9 1.0 NE2 A:HIS320 4.2 33.8 1.0 CD2 A:HIS320 4.3 33.9 1.0 CA A:CYS330 4.6 49.8 1.0 N A:GLU342 4.7 57.1 1.0 CB A:ILE332 4.8 52.8 1.0 C A:ILE332 4.8 53.5 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 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 IP5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn700 b:45.3 occ:1.00 SG B:CYS330 2.0 47.9 1.0 NE2 B:HIS346 2.0 38.5 1.0 SG B:CYS333 2.1 58.5 1.0 ND1 B:HIS320 2.2 32.2 1.0 CE1 B:HIS346 2.9 39.5 1.0 CB B:CYS330 3.0 48.8 1.0 CE1 B:HIS320 3.1 31.4 1.0 CD2 B:HIS346 3.1 40.4 1.0 CG B:HIS320 3.2 31.7 1.0 CB B:CYS333 3.3 58.8 1.0 CB B:HIS320 3.6 31.9 1.0 N B:CYS333 3.7 57.4 1.0 CA B:CYS333 4.0 59.0 1.0 ND1 B:HIS346 4.1 40.3 1.0 CA B:HIS320 4.1 32.1 1.0 CG B:HIS346 4.2 42.8 1.0 NE2 B:HIS320 4.2 30.8 1.0 CD2 B:HIS320 4.3 31.0 1.0 CA B:CYS330 4.5 49.1 1.0 CB B:ILE332 4.6 54.6 1.0 C B:ILE332 4.7 55.8 1.0 C B:CYS330 5.0 49.7 1.0 O B:HIS320 5.0 32.7 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