Potassium in PDB 3qv9: Crystal Structure of Trypanosoma Cruzi Pyruvate Kinase(Tcpyk)in Complex with Ponceau S.

All present enzymatic activity of Crystal Structure of Trypanosoma Cruzi Pyruvate Kinase(Tcpyk)in Complex with Ponceau S.:
2.7.1.40;

The structure of Crystal Structure of Trypanosoma Cruzi Pyruvate Kinase(Tcpyk)in Complex with Ponceau S., PDB code: 3qv9 was solved by H.P.Morgan, D.S.Auld, I.W.Mcnae, M.W.Nowicki, P.A.M.Michels, 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)	90.82 / 2.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.200, 121.826, 96.540, 90.00, 109.81, 90.00
R / Rfree (%)	19.8 / 24.9

The binding sites of Potassium atom in the Crystal Structure of Trypanosoma Cruzi Pyruvate Kinase(Tcpyk)in Complex with Ponceau S. (pdb code 3qv9). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of Trypanosoma Cruzi Pyruvate Kinase(Tcpyk)in Complex with Ponceau S., PDB code: 3qv9:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of Trypanosoma Cruzi Pyruvate Kinase(Tcpyk)in Complex with Ponceau S.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of Trypanosoma Cruzi Pyruvate Kinase(Tcpyk)in Complex with Ponceau S. within 5.0Å range: probe atom residue distance (Å) B Occ A:K500 b:55.6 occ:1.00 OD1 A:ASN52 2.7 27.0 1.0 O A:THR85 2.8 29.1 1.0 OD1 A:ASP84 3.0 28.5 1.0 OG A:SER54 3.2 38.5 1.0 O A:HOH705 3.3 30.2 1.0 O A:ASP84 3.6 24.9 1.0 CG A:ASP84 3.6 30.7 1.0 C A:THR85 3.7 30.1 1.0 CG A:ASN52 3.8 28.7 1.0 NH2 A:ARG50 4.0 21.2 1.0 CB A:SER54 4.0 37.6 1.0 C A:ASP84 4.0 25.7 1.0 NZ A:LYS239 4.1 23.6 1.0 OD2 A:ASP84 4.1 31.9 1.0 OG A:SER212 4.2 31.8 1.0 N A:SER54 4.2 36.3 1.0 N A:LYS86 4.2 31.5 1.0 CB A:ASP84 4.3 25.5 1.0 CA A:LYS86 4.3 33.8 1.0 N A:THR85 4.5 26.5 1.0 N A:PHE53 4.5 29.9 1.0 ND2 A:ASN52 4.6 26.9 1.0 CA A:SER54 4.6 38.4 1.0 CA A:ASN52 4.7 27.6 1.0 CA A:THR85 4.7 27.5 1.0 CA A:ASP84 4.8 25.8 1.0 O A:LYS86 4.8 33.3 1.0 CB A:ASN52 4.8 26.9 1.0 C A:ASN52 4.8 29.2 1.0 C A:LYS86 4.9 34.0 1.0 C A:PHE53 5.0 33.9 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of Trypanosoma Cruzi Pyruvate Kinase(Tcpyk)in Complex with Ponceau S.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of Trypanosoma Cruzi Pyruvate Kinase(Tcpyk)in Complex with Ponceau S. within 5.0Å range: probe atom residue distance (Å) B Occ B:K502 b:48.0 occ:1.00 O B:HOH752 2.6 38.4 1.0 OD1 B:ASN52 2.6 30.8 1.0 OD1 B:ASP84 2.9 29.1 1.0 OG B:SER54 3.0 31.1 1.0 O B:THR85 3.1 29.7 1.0 O B:HOH803 3.1 26.4 1.0 CG B:ASP84 3.6 27.2 1.0 C B:THR85 3.7 28.9 1.0 CG B:ASN52 3.7 29.0 1.0 O B:ASP84 3.7 24.9 1.0 NH2 B:ARG50 3.9 25.9 1.0 OG B:SER212 4.0 27.0 1.0 NZ B:LYS239 4.0 34.7 1.0 C B:ASP84 4.0 25.1 1.0 CB B:SER54 4.1 28.9 1.0 CB B:ASP84 4.2 25.1 1.0 N B:LYS86 4.2 31.5 1.0 CA B:LYS86 4.2 32.9 1.0 N B:SER54 4.3 30.9 1.0 OD2 B:ASP84 4.3 29.6 1.0 ND2 B:ASN52 4.4 28.4 1.0 N B:THR85 4.4 25.0 1.0 N B:PHE53 4.6 27.7 1.0 CA B:THR85 4.6 26.2 1.0 CA B:ASP84 4.7 24.6 1.0 CA B:SER54 4.7 30.9 1.0 O B:LYS86 4.8 32.4 1.0 CB B:ASN52 4.8 27.1 1.0 C B:LYS86 4.8 33.0 1.0 CA B:ASN52 4.8 27.4 1.0 C B:ASN52 5.0 27.7 1.0

H.P.Morgan, I.W.Mcnae, M.W.Nowicki, W.Zhong, P.A.Michels, D.S.Auld, L.A.Fothergill-Gilmore, M.D.Walkinshaw. The Trypanocidal Drug Suramin and Other Trypan Blue Mimetics Are Inhibitors of Pyruvate Kinases and Bind to the Adenosine Site. J.Biol.Chem. V. 286 31232 2011.
ISSN: ISSN 0021-9258
PubMed: 21733839
DOI: 10.1074/JBC.M110.212613