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Potassium in PDB 7fry: Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6

Enzymatic activity of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6

All present enzymatic activity of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6:
2.7.1.40;

Protein crystallography data

The structure of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6, PDB code: 7fry was solved by A.Lulla, O.Nilsson, P.Brear, A.Nain-Perez, M.Grotli, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 104.69 / 1.96
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 209.386, 113.888, 189.794, 90, 90.54, 90
R / Rfree (%) 20.1 / 22.3

Other elements in 7fry:

The structure of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 (pdb code 7fry). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6, PDB code: 7fry:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 7fry

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Potassium binding site 1 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K604

b:109.2
occ:1.00
OD1 A:ASN87 2.6 77.0 1.0
O A:THR126 2.7 81.0 1.0
OD1 A:ASP125 2.8 76.5 1.0
OG A:SER89 2.9 84.8 1.0
C A:THR126 3.5 80.8 1.0
CG A:ASP125 3.6 75.8 1.0
CG A:ASN87 3.8 75.7 1.0
O A:ASP125 3.8 72.4 1.0
CB A:SER89 3.8 82.8 1.0
OG A:SER255 3.8 69.7 1.0
N A:SER89 4.0 79.3 1.0
CA A:LYS127 4.1 86.5 1.0
C A:ASP125 4.1 72.1 1.0
N A:LYS127 4.1 83.5 1.0
NZ A:LYS282 4.2 66.0 1.0
CB A:ASP125 4.2 71.2 1.0
ND2 A:ASN87 4.4 76.3 1.0
NH2 A:ARG85 4.4 63.2 1.0
CA A:SER89 4.4 81.7 1.0
N A:THR126 4.4 74.2 1.0
OD2 A:ASP125 4.4 77.6 1.0
O A:LYS127 4.5 88.8 1.0
N A:PHE88 4.6 74.4 1.0
CA A:THR126 4.6 77.1 1.0
C A:LYS127 4.6 88.7 1.0
CA A:ASP125 4.8 69.6 1.0
CA A:ASN87 4.9 71.6 1.0
CB A:ASN87 4.9 72.5 1.0
C A:PHE88 4.9 77.6 1.0
C A:ASN87 4.9 73.6 1.0
CB A:SER255 5.0 67.7 1.0

Potassium binding site 2 out of 8 in 7fry

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Potassium binding site 2 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K604

b:98.6
occ:1.00
O B:THR126 2.7 70.3 1.0
OG B:SER89 2.7 78.7 1.0
OD1 B:ASP125 3.0 68.1 1.0
OD1 B:ASN87 3.1 61.2 1.0
OG B:SER255 3.6 57.0 1.0
C B:THR126 3.6 69.9 1.0
CB B:SER89 3.8 76.2 1.0
CG B:ASP125 3.9 66.9 1.0
CA B:LYS127 4.0 74.9 1.0
NZ B:LYS282 4.0 48.8 1.0
O B:LYS127 4.1 77.6 1.0
N B:LYS127 4.2 72.1 1.0
CG B:ASN87 4.2 61.9 1.0
O B:ASP125 4.2 60.5 1.0
C B:LYS127 4.3 77.4 1.0
N B:SER89 4.4 72.8 1.0
C B:ASP125 4.5 61.1 1.0
CA B:SER89 4.6 74.7 1.0
OD2 B:ASP125 4.6 68.8 1.0
CB B:ASP125 4.7 60.8 1.0
NH2 B:ARG85 4.7 49.3 1.0
CB B:SER255 4.7 54.8 1.0
N B:THR126 4.7 63.7 1.0
ND2 B:ASN87 4.7 63.2 1.0
CA B:THR126 4.8 66.7 1.0

Potassium binding site 3 out of 8 in 7fry

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Potassium binding site 3 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K605

b:78.1
occ:1.00
OD1 C:ASN87 2.5 45.2 1.0
OD1 C:ASP125 2.7 49.9 1.0
O C:THR126 2.8 40.4 1.0
OG C:SER89 3.0 50.5 1.0
CG C:ASP125 3.5 48.8 1.0
CG C:ASN87 3.6 44.7 1.0
C C:THR126 3.7 42.1 1.0
OG C:SER255 3.8 38.7 1.0
O C:ASP125 3.8 37.7 1.0
CB C:SER89 3.9 48.5 1.0
NZ C:LYS282 4.1 41.5 1.0
N C:SER89 4.1 46.6 1.0
C C:ASP125 4.1 38.5 1.0
CB C:ASP125 4.1 40.1 1.0
ND2 C:ASN87 4.2 45.2 1.0
NH2 C:ARG85 4.2 49.2 1.0
OD2 C:ASP125 4.3 52.6 1.0
CA C:LYS127 4.3 47.3 1.0
N C:LYS127 4.4 45.1 1.0
O C:HOH735 4.5 47.7 1.0
N C:THR126 4.5 38.5 1.0
CA C:SER89 4.5 48.2 1.0
N C:PHE88 4.6 41.9 1.0
O C:LYS127 4.7 51.3 1.0
CA C:THR126 4.7 39.4 1.0
CB C:ASN87 4.7 42.1 1.0
CA C:ASN87 4.8 41.7 1.0
CA C:ASP125 4.8 38.1 1.0
C C:LYS127 4.8 49.7 1.0
C C:ASN87 4.9 42.1 1.0
C C:PHE88 5.0 45.4 1.0

Potassium binding site 4 out of 8 in 7fry

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Potassium binding site 4 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K604

b:51.8
occ:1.00
O D:HOH811 2.6 57.5 1.0
OD1 D:ASN87 2.7 35.1 1.0
OD1 D:ASP125 2.7 43.2 1.0
O D:HOH802 2.8 40.5 1.0
O D:THR126 2.8 40.1 1.0
OG D:SER89 2.9 41.9 1.0
CG D:ASP125 3.5 41.6 1.0
CG D:ASN87 3.7 34.0 1.0
C D:THR126 3.7 40.7 1.0
OG D:SER255 3.8 41.1 1.0
CB D:SER89 3.9 38.8 1.0
NZ D:LYS282 3.9 35.6 1.0
O D:ASP125 3.9 36.7 1.0
O D:HOH894 4.2 52.8 1.0
C D:ASP125 4.2 36.0 1.0
NH2 D:ARG85 4.2 38.0 1.0
CB D:ASP125 4.2 33.4 1.0
N D:SER89 4.2 36.9 1.0
ND2 D:ASN87 4.2 35.7 1.0
OD2 D:ASP125 4.3 45.1 1.0
CA D:LYS127 4.3 47.6 1.0
N D:LYS127 4.4 43.6 1.0
N D:THR126 4.6 36.5 1.0
O D:LYS127 4.6 51.8 1.0
CA D:SER89 4.6 38.2 1.0
O D:HOH736 4.7 41.1 1.0
N D:PHE88 4.7 33.0 1.0
CA D:THR126 4.7 38.1 1.0
C D:LYS127 4.8 51.2 1.0
CA D:ASP125 4.8 33.5 1.0
CB D:ASN87 4.9 30.2 1.0
O1 D:OXL602 4.9 51.1 1.0
CA D:ASN87 4.9 31.0 1.0

Potassium binding site 5 out of 8 in 7fry

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Potassium binding site 5 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K604

b:124.8
occ:1.00
O E:THR126 2.7 76.2 1.0
OD1 E:ASP125 2.8 76.3 1.0
OD1 E:ASN87 2.8 62.4 1.0
OG E:SER89 2.9 76.9 1.0
OG E:SER255 3.6 63.2 1.0
C E:THR126 3.6 75.9 1.0
CG E:ASP125 3.7 75.1 1.0
CB E:SER89 3.9 74.8 1.0
CG E:ASN87 3.9 63.3 1.0
NZ E:LYS282 4.0 59.4 1.0
O E:ASP125 4.0 69.4 1.0
CA E:LYS127 4.1 79.8 1.0
N E:LYS127 4.2 77.8 1.0
N E:SER89 4.2 72.5 1.0
C E:ASP125 4.3 69.6 1.0
O E:LYS127 4.3 82.1 1.0
CB E:ASP125 4.4 69.9 1.0
NH2 E:ARG85 4.4 58.6 1.0
OD2 E:ASP125 4.5 77.0 1.0
ND2 E:ASN87 4.5 64.9 1.0
C E:LYS127 4.5 81.9 1.0
N E:THR126 4.6 71.1 1.0
CA E:SER89 4.6 74.2 1.0
CA E:THR126 4.7 73.2 1.0
CB E:SER255 4.8 62.6 1.0
N E:PHE88 4.8 66.5 1.0
CA E:ASP125 4.9 67.8 1.0

Potassium binding site 6 out of 8 in 7fry

Go back to Potassium Binding Sites List in 7fry
Potassium binding site 6 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K604

b:86.6
occ:1.00
OD1 F:ASP125 2.4 63.1 1.0
O F:THR126 2.9 59.3 1.0
OD1 F:ASN87 2.9 54.1 1.0
CG F:ASP125 3.2 60.5 1.0
OG F:SER89 3.4 66.5 1.0
NZ F:LYS282 3.5 49.6 1.0
OG F:SER255 3.6 52.2 1.0
C F:THR126 3.9 59.6 1.0
OD2 F:ASP125 3.9 63.0 1.0
CG F:ASN87 3.9 53.4 1.0
NH2 F:ARG85 4.0 51.1 1.0
CB F:ASP125 4.1 53.0 1.0
O F:ASP125 4.1 50.6 1.0
C F:ASP125 4.2 51.7 1.0
CB F:SER89 4.3 65.7 1.0
ND2 F:ASN87 4.5 53.9 1.0
O2 F:OXL602 4.5 76.3 1.0
CA F:LYS127 4.6 65.7 1.0
N F:THR126 4.6 54.0 1.0
N F:LYS127 4.6 62.5 1.0
N F:SER89 4.7 63.5 1.0
O F:LYS127 4.7 68.8 1.0
CA F:ASP125 4.8 50.7 1.0
CB F:SER255 4.8 50.5 1.0
CA F:THR126 4.9 56.6 1.0
C F:LYS127 4.9 68.2 1.0
CE F:LYS282 5.0 47.0 1.0

Potassium binding site 7 out of 8 in 7fry

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Potassium binding site 7 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K604

b:73.8
occ:1.00
O G:HOH848 2.5 54.9 1.0
OD1 G:ASN87 2.7 39.9 1.0
OD1 G:ASP125 2.8 43.3 1.0
O G:HOH754 2.9 48.3 1.0
O G:THR126 2.9 36.0 1.0
OG G:SER89 3.0 48.3 1.0
CG G:ASP125 3.6 42.4 1.0
OG G:SER255 3.7 38.3 1.0
CG G:ASN87 3.8 39.2 1.0
C G:THR126 3.8 36.6 1.0
NZ G:LYS282 3.9 33.9 1.0
CB G:SER89 4.0 44.8 1.0
O G:ASP125 4.1 33.6 1.0
NH2 G:ARG85 4.2 41.1 1.0
O G:HOH908 4.3 60.2 1.0
OD2 G:ASP125 4.3 44.8 1.0
ND2 G:ASN87 4.3 39.5 1.0
CB G:ASP125 4.3 35.4 1.0
C G:ASP125 4.3 32.9 1.0
N G:SER89 4.4 41.0 1.0
CA G:LYS127 4.4 41.7 1.0
O G:HOH739 4.5 44.2 1.0
N G:LYS127 4.5 38.8 1.0
O G:LYS127 4.6 44.6 1.0
N G:THR126 4.7 32.5 1.0
CA G:SER89 4.7 43.6 1.0
C G:LYS127 4.8 43.7 1.0
CA G:THR126 4.9 34.0 1.0
O2 G:OXL602 4.9 53.0 1.0
N G:PHE88 4.9 37.4 1.0
CB G:SER255 4.9 34.7 1.0
CB G:ASN87 5.0 35.9 1.0
CA G:ASP125 5.0 32.7 1.0

Potassium binding site 8 out of 8 in 7fry

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Potassium binding site 8 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 6 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:K604

b:56.6
occ:1.00
OD1 H:ASN87 2.6 36.1 1.0
OD1 H:ASP125 2.6 43.4 1.0
O H:HOH889 2.7 50.4 1.0
O H:THR126 2.9 41.5 1.0
OG H:SER89 3.0 45.8 1.0
CG H:ASP125 3.4 42.4 1.0
O H:HOH930 3.5 79.4 1.0
CG H:ASN87 3.6 34.8 1.0
C H:THR126 3.7 41.5 1.0
O H:ASP125 3.8 35.4 1.0
OG H:SER255 3.8 37.5 1.0
NZ H:LYS282 3.9 40.4 1.0
CB H:SER89 3.9 44.1 1.0
C H:ASP125 4.1 35.0 1.0
CB H:ASP125 4.1 34.2 1.0
NH2 H:ARG85 4.1 38.2 1.0
N H:SER89 4.2 41.3 1.0
OD2 H:ASP125 4.2 46.5 1.0
ND2 H:ASN87 4.2 35.5 1.0
CA H:LYS127 4.4 47.9 1.0
N H:LYS127 4.4 44.1 1.0
N H:THR126 4.5 36.0 1.0
O H:HOH748 4.6 60.6 1.0
CA H:SER89 4.6 43.5 1.0
N H:PHE88 4.6 35.6 1.0
O H:HOH738 4.7 31.2 1.0
O H:LYS127 4.7 50.9 1.0
CA H:THR126 4.7 38.3 1.0
CA H:ASP125 4.7 32.7 1.0
CB H:ASN87 4.8 32.3 1.0
CA H:ASN87 4.8 32.8 1.0
C H:LYS127 4.9 51.0 1.0
O3 H:OXL602 4.9 44.1 1.0
C H:ASN87 4.9 34.5 1.0

Reference:

A.Nain-Perez, O.Nilsson, A.Lulla, L.Haversen, P.Brear, S.Liljenberg, M.Hyvonen, J.Boren, M.Grotli. Tuning Liver Pyruvate Kinase Activity Up or Down with A New Class of Allosteric Modulators. Eur.J.Med.Chem. V. 250 15177 2023.
ISSN: ISSN 0223-5234
PubMed: 36753880
DOI: 10.1016/J.EJMECH.2023.115177
Page generated: Tue Apr 25 21:11:48 2023

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