Magnesium in PDB 4o4f: Crystal Structure of An Inositol Hexakisphosphate Kinase EHIP6KA in Complexed with Atp and INSP6

All present enzymatic activity of Crystal Structure of An Inositol Hexakisphosphate Kinase EHIP6KA in Complexed with Atp and INSP6:
2.7.4.21;

The structure of Crystal Structure of An Inositol Hexakisphosphate Kinase EHIP6KA in Complexed with Atp and INSP6, PDB code: 4o4f was solved by H.Wang, S.B.Shears, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.40 / 1.70
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.229, 102.229, 109.493, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 22.2

The binding sites of Magnesium atom in the Crystal Structure of An Inositol Hexakisphosphate Kinase EHIP6KA in Complexed with Atp and INSP6 (pdb code 4o4f). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of An Inositol Hexakisphosphate Kinase EHIP6KA in Complexed with Atp and INSP6, PDB code: 4o4f:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of An Inositol Hexakisphosphate Kinase EHIP6KA in Complexed with Atp and INSP6


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of An Inositol Hexakisphosphate Kinase EHIP6KA in Complexed with Atp and INSP6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:41.6 occ:1.00 O A:HOH644 2.0 38.0 1.0 O A:HOH641 2.1 41.0 1.0 O1B A:ATP404 2.1 40.1 1.0 O A:HOH645 2.1 46.9 1.0 O44 A:IHP403 2.2 47.4 1.0 O2G A:ATP404 2.2 43.7 1.0 MG A:MG402 3.0 35.4 1.0 O14 A:IHP403 3.3 49.9 1.0 PB A:ATP404 3.3 41.2 1.0 P4 A:IHP403 3.3 49.9 1.0 PG A:ATP404 3.4 44.0 1.0 O3B A:ATP404 3.5 40.7 1.0 N A:GLY23 3.5 56.3 1.0 O2A A:ATP404 3.7 38.6 1.0 O3G A:ATP404 4.0 41.4 1.0 O25 A:IHP403 4.2 42.7 1.0 O3A A:ATP404 4.3 39.5 1.0 O34 A:IHP403 4.3 47.1 1.0 O A:HOH667 4.3 51.1 1.0 O24 A:IHP403 4.4 51.7 1.0 O2B A:ATP404 4.4 41.5 1.0 OD2 A:ASP231 4.5 25.3 1.0 NE2 A:GLN27 4.5 63.4 1.0 O A:HOH628 4.6 44.6 1.0 O1G A:ATP404 4.6 40.2 1.0 C4 A:IHP403 4.7 50.0 1.0 O23 A:IHP403 4.7 67.7 1.0 PA A:ATP404 4.7 37.0 1.0 CA A:GLY23 4.7 53.8 1.0 O35 A:IHP403 4.8 42.1 1.0 O A:HOH678 4.9 49.3 1.0 O A:HOH638 4.9 42.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of An Inositol Hexakisphosphate Kinase EHIP6KA in Complexed with Atp and INSP6


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of An Inositol Hexakisphosphate Kinase EHIP6KA in Complexed with Atp and INSP6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:35.4 occ:1.00 O A:HOH678 2.2 49.3 1.0 OD2 A:ASP231 2.2 25.3 1.0 O2G A:ATP404 2.3 43.7 1.0 O A:HOH628 2.4 44.6 1.0 O A:HOH641 2.5 41.0 1.0 O A:HOH644 2.6 38.0 1.0 MG A:MG401 3.0 41.6 1.0 CG A:ASP231 3.3 22.8 1.0 PG A:ATP404 3.6 44.0 1.0 OD1 A:ASP231 3.7 27.3 1.0 O2A A:ATP404 3.8 38.6 1.0 O25 A:IHP403 4.0 42.7 1.0 O A:HOH622 4.1 38.3 1.0 O A:HOH634 4.1 23.9 1.0 O A:HOH638 4.1 42.7 1.0 O1G A:ATP404 4.1 40.2 1.0 O A:SER207 4.2 20.6 0.6 O A:SER207 4.2 20.0 0.4 O3G A:ATP404 4.3 41.4 1.0 O A:HOH667 4.4 51.1 1.0 O1B A:ATP404 4.4 40.1 1.0 CB A:ASP231 4.5 20.0 1.0 O A:HOH645 4.5 46.9 1.0 O A:HOH627 4.5 36.7 1.0 OG A:SER207 4.6 19.7 0.4 O3B A:ATP404 4.7 40.7 1.0 O44 A:IHP403 4.9 47.4 1.0

H.Wang, E.F.Derose, R.E.London, S.B.Shears. IP6K Structure and the Molecular Determinants of Catalytic Specificity in An Inositol Phosphate Kinase Family. Nat Commun V. 5 4178 2014.
ISSN: ESSN 2041-1723
PubMed: 24956979
DOI: 10.1038/NCOMMS5178