Zinc in PDB 2xar: Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with IP6.

All present enzymatic activity of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with IP6.:
2.7.1.158;

The structure of Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with IP6., PDB code: 2xar 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)	112.50 / 3.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.670, 112.501, 139.720, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 29.9

The binding sites of Zinc atom in the Inositol 1,3,4,5,6-Pentakisphosphate 2-Kinase From A. Thaliana in Complex with IP6. (pdb code 2xar). 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 IP6., PDB code: 2xar:
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 IP6.


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 IP6. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn700 b:44.2 occ:1.00 NE2 A:HIS346 1.9 50.9 1.0 ND1 A:HIS320 2.1 39.0 1.0 SG A:CYS333 2.1 60.5 1.0 SG A:CYS330 2.1 54.7 1.0 CE1 A:HIS346 2.8 50.8 1.0 CE1 A:HIS320 3.0 39.0 1.0 CD2 A:HIS346 3.0 52.0 1.0 CG A:HIS320 3.1 38.1 1.0 CB A:CYS330 3.3 56.4 1.0 CB A:CYS333 3.5 61.3 1.0 CB A:HIS320 3.5 37.6 1.0 N A:CYS333 3.8 59.8 1.0 ND1 A:HIS346 3.9 51.8 1.0 CA A:HIS320 4.1 37.3 1.0 CG A:HIS346 4.1 52.5 1.0 NE2 A:HIS320 4.1 38.5 1.0 N A:GLU342 4.2 57.8 1.0 CD2 A:HIS320 4.2 37.9 1.0 CA A:CYS333 4.2 61.4 1.0 C A:ILE332 4.5 58.8 1.0 CB A:ILE332 4.6 56.6 1.0 CA A:CYS330 4.7 57.1 1.0 O A:HIS320 4.8 38.7 1.0 C A:HIS320 4.9 38.0 1.0 CA A:ILE332 5.0 57.8 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 IP6.


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 IP6. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn700 b:65.3 occ:1.00 SG B:CYS333 1.9 86.7 1.0 NE2 B:HIS346 2.0 65.0 1.0 SG B:CYS330 2.0 74.8 1.0 ND1 B:HIS320 2.1 57.8 1.0 CE1 B:HIS346 2.9 64.7 1.0 CB B:CYS333 3.0 86.3 1.0 CE1 B:HIS320 3.0 58.0 1.0 CD2 B:HIS346 3.1 67.7 1.0 CB B:CYS330 3.1 77.0 1.0 CG B:HIS320 3.2 55.6 1.0 CB B:HIS320 3.6 54.9 1.0 N B:CYS333 3.6 84.3 1.0 CA B:CYS333 3.9 87.0 1.0 ND1 B:HIS346 4.0 66.5 1.0 CA B:HIS320 4.1 53.6 1.0 NE2 B:HIS320 4.1 56.2 1.0 CG B:HIS346 4.2 69.6 1.0 CD2 B:HIS320 4.2 54.8 1.0 CA B:CYS330 4.5 77.9 1.0 C B:CYS333 4.8 90.7 1.0 C B:ILE332 4.8 83.0 1.0 O B:CYS330 4.8 81.4 1.0 C B:CYS330 4.9 79.5 1.0 O B:HIS320 4.9 55.1 1.0 C B:HIS320 5.0 53.8 1.0 CB B:ILE332 5.0 77.8 1.0 N B:ILE332 5.0 80.6 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