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Sodium in PDB 4ixc: Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator.

Enzymatic activity of Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator.

All present enzymatic activity of Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator.:
2.7.1.2;

Protein crystallography data

The structure of Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator., PDB code: 4ixc was solved by D.J.Ogg, D.Hargreaves, S.Gerhardt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.89 / 2.00
Space group P 41
Cell size a, b, c (Å), α, β, γ (°) 77.628, 77.628, 85.824, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 24.9

Other elements in 4ixc:

The structure of Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator. (pdb code 4ixc). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator., PDB code: 4ixc:

Sodium binding site 1 out of 1 in 4ixc

Go back to Sodium Binding Sites List in 4ixc
Sodium binding site 1 out of 1 in the Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human Glucokinase in Complex with A Small Molecule Activator. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na501

b:33.6
occ:1.00
 O A:MET238 2.3 32.1 1.0
O A:HOH797 2.3 32.1 1.0
O A:VAL244 2.3 36.0 1.0
O A:VAL241 2.4 31.3 1.0
O A:GLY246 2.6 38.9 1.0
C A:VAL241 3.3 31.4 1.0
C A:MET238 3.4 34.4 1.0
C A:VAL244 3.5 34.8 1.0
C A:GLY246 3.7 39.3 1.0
N A:GLY246 3.8 39.4 1.0
CE A:MET238 4.0 34.4 1.0
C A:GLU245 4.1 39.1 1.0
N A:GLU242 4.2 33.4 1.0
CA A:VAL241 4.2 31.2 1.0
N A:VAL241 4.3 30.0 1.0
N A:GLN239 4.3 32.2 1.0
CA A:GLY246 4.3 36.4 1.0
CA A:MET238 4.3 31.1 1.0
CA A:GLN239 4.3 33.7 1.0
CB A:VAL241 4.3 30.9 1.0
CA A:GLU242 4.3 32.6 1.0
CA A:GLU245 4.4 43.5 1.0
N A:GLU245 4.4 38.6 1.0
O A:HOH776 4.4 61.5 1.0
N A:VAL244 4.4 32.1 1.0
CB A:MET238 4.4 32.8 1.0
O A:HOH698 4.5 45.6 1.0
CA A:VAL244 4.5 33.8 1.0
C A:GLN239 4.5 32.7 1.0
O A:GLN239 4.6 31.2 1.0
O A:GLU245 4.6 35.8 1.0
SD A:MET238 4.6 33.2 1.0
C A:GLU242 4.7 32.7 1.0
N A:ASP247 4.8 39.9 1.0
OD1 A:ASP247 4.8 57.5 1.0
CB A:VAL244 4.8 34.8 1.0
CG1 A:VAL241 5.0 30.1 1.0
O A:GLU242 5.0 36.6 1.0

Reference:

M.J.Waring, S.N.L.Bennett, S.Boyd, L.Campbell, R.D.M.Davies, S.Gerhardt, D.Hargreaves, N.G Martin, G.R.Robb, G.Wilkinson. Matched Triplicate Design Sets in the Optimisation of Glucokinase Activators Maximising Medicinal Chemistry Information Content To Be Published.
Page generated: Mon Oct 7 16:07:28 2024

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