Potassium in PDB 3srk: A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase

All present enzymatic activity of A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase:
2.7.1.40;

The structure of A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase, PDB code: 3srk was solved by H.P.Morgan, M.Walsh, E.A.Blackburn, M.A.Wear, M.Boxer, M.Shen, I.W.Mcnae, P.A.M.Michels, D.S.Auld, L.A.Fothergill-Gilmore, M.D.Walkinshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.31 / 2.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	122.420, 130.160, 166.490, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.6

The binding sites of Potassium atom in the A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase (pdb code 3srk). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase, PDB code: 3srk:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:K499 b:72.6 occ:1.00 OD1 A:ASP264 3.1 56.4 1.0 OE1 A:GLU240 3.2 57.7 1.0 CG A:ASP264 4.1 54.2 1.0 CD A:GLU240 4.2 55.1 1.0 OE2 A:GLU240 4.4 55.4 1.0 OD2 A:ASP264 4.6 53.2 1.0 O A:LYS85 4.8 59.7 1.0

Potassium binding site 2 out of 4 in the A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:K501 b:51.7 occ:1.00 O A:LEU357 2.7 46.8 1.0 O A:GLN354 2.8 44.2 1.0 OE1 A:GLU359 3.0 46.5 1.0 OE2 A:GLU359 3.1 46.5 1.0 CD A:GLU359 3.4 45.3 1.0 C A:LEU357 3.9 46.4 1.0 C A:GLN354 3.9 44.3 1.0 O A:SER355 4.1 50.4 1.0 C A:SER355 4.2 49.0 1.0 CA A:SER355 4.2 48.2 1.0 N A:LEU357 4.4 46.8 1.0 N A:SER355 4.6 46.2 1.0 CA A:LEU357 4.6 46.0 1.0 N A:ALA356 4.8 48.6 1.0 CG A:GLU359 4.8 42.9 1.0 CB A:LEU357 4.8 44.4 1.0 CG A:GLN354 4.9 41.7 1.0 C A:ALA356 4.9 48.6 1.0 N A:ASN358 4.9 46.9 1.0

Potassium binding site 3 out of 4 in the A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:K499 b:48.6 occ:1.00 O B:GLN354 2.8 41.5 1.0 O B:LEU357 2.8 43.9 1.0 OE2 B:GLU359 2.9 44.5 1.0 O B:HOH555 2.9 39.6 1.0 OE1 B:GLU359 3.2 44.7 1.0 O B:HOH538 3.4 23.6 1.0 CD B:GLU359 3.4 44.2 1.0 C B:GLN354 3.9 41.6 1.0 O B:SER355 3.9 46.0 1.0 C B:LEU357 4.0 43.1 1.0 C B:SER355 4.1 45.0 1.0 CA B:SER355 4.2 44.8 1.0 N B:LEU357 4.4 43.1 1.0 N B:SER355 4.5 43.2 1.0 CA B:LEU357 4.6 42.6 1.0 CG B:GLN354 4.7 40.2 1.0 N B:ALA356 4.8 44.4 1.0 CB B:LEU357 4.8 41.6 1.0 C B:ALA356 4.9 44.0 1.0 CG B:GLU359 4.9 43.0 1.0 CE1 B:HIS5 4.9 46.2 1.0

Potassium binding site 4 out of 4 in the A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:K501 b:76.5 occ:1.00 OD1 B:ASP264 3.5 63.6 1.0 OE1 B:GLU240 3.5 66.8 1.0 CD B:GLU240 4.1 63.9 1.0 OE2 B:GLU240 4.3 63.7 1.0 O B:LYS85 4.7 75.8 1.0 CG B:ASP264 4.7 60.4 1.0 OE2 B:GLU88 4.9 85.5 1.0 OG B:SER211 5.0 64.3 1.0

H.P.Morgan, M.Walsh, E.A.Blackburn, M.A.Wear, M.Boxer, M.Shen, I.W.Mcnae, P.A.M.Michels, D.S.Auld, L.A.Fothergill-Gilmore, M.D.Walkinshaw. A New Class of Suicide Inhibitor Blocks Nucleotide Binding to Pyruvate Kinase To Be Published.