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Potassium in PDB 3pp7: Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis.

Enzymatic activity of Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis.

All present enzymatic activity of Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis.:
2.7.1.40;

Protein crystallography data

The structure of Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis., PDB code: 3pp7 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) 44.73 / 2.35
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 123.770, 129.480, 165.750, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 23.1

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis. (pdb code 3pp7). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis., PDB code: 3pp7:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 3pp7

Go back to Potassium Binding Sites List in 3pp7
Potassium binding site 1 out of 4 in the Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis.


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 Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K501

b:55.2
occ:1.00
 O A:GLN354 2.6 44.9 1.0
O A:LEU357 2.7 48.8 1.0
OE1 A:GLU359 2.7 51.1 1.0
O A:HOH628 2.9 40.1 1.0
OE2 A:GLU359 3.0 49.7 1.0
CD A:GLU359 3.2 50.5 1.0
C A:GLN354 3.7 45.1 1.0
C A:LEU357 3.9 48.4 1.0
O A:SER355 3.9 48.3 1.0
C A:SER355 4.0 47.3 1.0
CA A:SER355 4.1 47.1 1.0
N A:LEU357 4.2 47.4 1.0
N A:SER355 4.3 45.7 1.0
CA A:LEU357 4.5 47.9 1.0
CG A:GLU359 4.7 48.5 1.0
N A:ALA356 4.8 46.9 1.0
CG A:GLN354 4.8 45.1 1.0
CB A:LEU357 4.8 47.3 1.0
CA A:GLN354 4.9 44.3 1.0
N A:ASN358 4.9 48.9 1.0
C A:ALA356 4.9 47.4 1.0
N A:GLU359 5.0 48.1 1.0

Potassium binding site 2 out of 4 in 3pp7

Go back to Potassium Binding Sites List in 3pp7
Potassium binding site 2 out of 4 in the Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis.


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 Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K502

b:81.7
occ:1.00
 OD1 A:ASN51 2.8 51.0 1.0
O A:THR84 3.1 53.1 1.0
OG A:SER53 3.1 58.5 1.0
OD1 A:ASP83 3.1 49.5 1.0
NZ A:LYS238 3.6 44.4 1.0
CG A:ASP83 3.8 48.6 1.0
CG A:ASN51 3.8 51.4 1.0
O A:ASP83 3.8 49.5 1.0
C A:THR84 3.8 53.5 1.0
CB A:SER53 4.0 59.1 1.0
NH2 A:ARG49 4.0 48.9 1.0
OG A:SER211 4.2 50.4 1.0
C A:ASP83 4.2 48.9 1.0
N A:SER53 4.2 57.8 1.0
CA A:LYS85 4.3 58.4 1.0
N A:LYS85 4.3 56.1 1.0
ND2 A:ASN51 4.4 50.1 1.0
CB A:ASP83 4.4 47.2 1.0
OD2 A:ASP83 4.4 49.7 1.0
N A:THR84 4.6 49.7 1.0
CA A:SER53 4.7 59.6 1.0
N A:PHE52 4.7 53.8 1.0
CA A:THR84 4.8 51.9 1.0
O A:LYS85 4.9 59.5 1.0
CB A:ASN51 4.9 51.4 1.0
CA A:ASN51 4.9 51.5 1.0
CA A:ASP83 4.9 47.6 1.0
C A:LYS85 5.0 59.9 1.0

Potassium binding site 3 out of 4 in 3pp7

Go back to Potassium Binding Sites List in 3pp7
Potassium binding site 3 out of 4 in the Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K500

b:67.0
occ:1.00
 OD1 B:ASN51 2.7 48.5 1.0
O B:THR84 3.0 58.9 1.0
OD1 B:ASP83 3.0 52.8 1.0
OG B:SER53 3.1 56.5 1.0
CG B:ASP83 3.6 51.7 1.0
NZ B:LYS238 3.8 52.3 1.0
CG B:ASN51 3.8 50.5 1.0
C B:THR84 3.8 59.4 1.0
OG B:SER211 4.0 54.4 1.0
CB B:SER53 4.0 57.3 1.0
C1 B:GOL502 4.1 81.4 1.0
O B:ASP83 4.1 53.3 1.0
NH2 B:ARG49 4.1 45.1 1.0
CA B:LYS85 4.2 64.8 1.0
N B:SER53 4.3 56.5 1.0
OD2 B:ASP83 4.3 52.1 1.0
CB B:ASP83 4.3 50.8 1.0
N B:LYS85 4.3 62.2 1.0
C B:ASP83 4.3 53.3 1.0
O1 B:GOL502 4.3 80.2 1.0
ND2 B:ASN51 4.4 50.2 1.0
O B:LYS85 4.6 66.4 1.0
N B:THR84 4.7 54.9 1.0
CA B:SER53 4.7 57.8 1.0
N B:PHE52 4.7 52.9 1.0
O B:HOH536 4.7 46.5 1.0
C B:LYS85 4.8 66.5 1.0
CA B:ASN51 4.8 50.1 1.0
CB B:ASN51 4.8 49.6 1.0
CA B:THR84 4.9 57.5 1.0
C B:ASN51 4.9 51.8 1.0
CA B:ASP83 5.0 51.3 1.0

Potassium binding site 4 out of 4 in 3pp7

Go back to Potassium Binding Sites List in 3pp7
Potassium binding site 4 out of 4 in the Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of Leishmania Mexicana Pyruvate Kinase in Complex with the Drug Suramin, An Inhibitor of Glycolysis. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K501

b:58.3
occ:1.00
 O B:LEU357 2.7 46.2 1.0
O B:HOH593 2.7 49.8 1.0
O B:GLN354 2.7 43.1 1.0
OE1 B:GLU359 3.1 50.6 1.0
OE2 B:GLU359 3.1 49.6 1.0
CD B:GLU359 3.4 49.9 1.0
O B:HOH685 3.7 40.9 1.0
C B:LEU357 3.8 45.9 1.0
C B:GLN354 3.8 43.5 1.0
O B:SER355 3.8 46.6 1.0
C B:SER355 4.0 46.0 1.0
N B:LEU357 4.1 45.7 1.0
CA B:SER355 4.1 46.0 1.0
O B:HOH657 4.1 55.6 1.0
N B:SER355 4.5 44.5 1.0
CA B:LEU357 4.5 45.8 1.0
NE2 B:HIS5 4.6 48.2 1.0
N B:ALA356 4.6 45.5 1.0
CB B:LEU357 4.8 45.7 1.0
C B:ALA356 4.9 45.9 1.0
N B:ASN358 4.9 45.9 1.0
CG B:GLU359 4.9 47.6 1.0
N B:GLU359 5.0 45.6 1.0

Reference:

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
Page generated: Sun Dec 13 23:21:26 2020

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