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

Enzymatic activity of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 7

All present enzymatic activity of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 7:
2.7.1.40;

Protein crystallography data

The structure of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 7, PDB code: 7frz 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) 187.67 / 2.09
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 207.176, 112.984, 187.82, 90, 92.26, 90
R / Rfree (%) 21.2 / 24.1

Other elements in 7frz:

The structure of Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 7 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 7 (pdb code 7frz). 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 7, PDB code: 7frz:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 7frz

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Potassium binding site 1 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 7


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 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K604

b:104.2
occ:1.00
OD1 A:ASN87 2.5 83.9 1.0
O A:THR126 2.6 92.1 1.0
OD1 A:ASP125 2.6 90.0 1.0
OG A:SER89 2.8 94.3 1.0
C A:THR126 3.5 92.1 1.0
CG A:ASP125 3.5 89.1 1.0
O A:ASP125 3.7 85.8 1.0
CG A:ASN87 3.7 82.5 1.0
OG A:SER255 3.7 74.9 1.0
CB A:SER89 3.8 91.5 1.0
C A:ASP125 4.0 85.8 1.0
N A:SER89 4.0 88.2 1.0
CA A:LYS127 4.1 96.6 1.0
N A:LYS127 4.1 94.2 1.0
CB A:ASP125 4.1 85.0 1.0
NZ A:LYS282 4.2 69.3 1.0
ND2 A:ASN87 4.3 83.5 1.0
N A:THR126 4.3 87.5 1.0
OD2 A:ASP125 4.4 90.9 1.0
NH2 A:ARG85 4.4 81.4 1.0
CA A:SER89 4.5 89.9 1.0
CA A:THR126 4.5 89.4 1.0
N A:PHE88 4.5 82.5 1.0
O A:LYS127 4.5 98.5 1.0
C A:LYS127 4.6 98.5 1.0
CA A:ASP125 4.7 83.6 1.0
CB A:ASN87 4.8 79.3 1.0
CA A:ASN87 4.8 78.3 1.0
C A:PHE88 4.9 86.9 1.0
C A:ASN87 4.9 80.9 1.0
CB A:SER255 4.9 72.5 1.0

Potassium binding site 2 out of 8 in 7frz

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Potassium binding site 2 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 7


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 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K604

b:69.6
occ:1.00
OD1 B:ASN87 2.5 65.1 1.0
OG B:SER89 2.6 74.6 1.0
OD1 B:ASP125 2.8 70.3 1.0
O B:THR126 2.9 73.4 1.0
O B:HOH799 3.0 58.9 1.0
CG B:ASN87 3.6 65.4 1.0
CG B:ASP125 3.7 70.4 1.0
CB B:SER89 3.7 73.3 1.0
OG B:SER255 3.8 55.9 1.0
C B:THR126 3.8 73.0 1.0
O B:ASP125 4.0 66.0 1.0
ND2 B:ASN87 4.1 66.2 1.0
NZ B:LYS282 4.1 61.9 1.0
N B:SER89 4.1 71.4 1.0
NH2 B:ARG85 4.2 54.4 1.0
CA B:LYS127 4.3 76.7 1.0
C B:ASP125 4.3 66.5 1.0
CB B:ASP125 4.3 66.6 1.0
N B:LYS127 4.4 74.7 1.0
OD2 B:ASP125 4.4 72.8 1.0
CA B:SER89 4.5 72.7 1.0
O B:LYS127 4.6 78.2 1.0
N B:THR126 4.7 68.2 1.0
C B:LYS127 4.8 78.2 1.0
N B:PHE88 4.8 66.7 1.0
CB B:ASN87 4.8 63.9 1.0
CA B:THR126 4.9 70.5 1.0
CA B:ASN87 4.9 63.8 1.0
CA B:ASP125 5.0 65.1 1.0

Potassium binding site 3 out of 8 in 7frz

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Potassium binding site 3 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 7


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 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K604

b:75.6
occ:1.00
OD1 C:ASN87 2.4 56.0 1.0
OG C:SER89 2.7 60.0 1.0
OD1 C:ASP125 2.7 56.1 1.0
O C:THR126 2.9 52.5 1.0
CG C:ASN87 3.5 55.6 1.0
CG C:ASP125 3.6 55.2 1.0
CB C:SER89 3.7 58.3 1.0
C C:THR126 3.7 53.4 1.0
O C:ASP125 3.8 49.4 1.0
OG C:SER255 3.9 44.2 1.0
N C:SER89 4.0 55.7 1.0
ND2 C:ASN87 4.1 55.8 1.0
C C:ASP125 4.1 49.3 1.0
CB C:ASP125 4.2 49.5 1.0
NH2 C:ARG85 4.2 60.7 1.0
NZ C:LYS282 4.3 48.8 1.0
CA C:LYS127 4.3 58.3 1.0
N C:LYS127 4.3 55.9 1.0
OD2 C:ASP125 4.4 58.0 1.0
CA C:SER89 4.4 57.4 1.0
N C:PHE88 4.5 53.4 1.0
N C:THR126 4.6 50.2 1.0
CB C:ASN87 4.6 53.5 1.0
O C:LYS127 4.7 60.5 1.0
CA C:ASN87 4.7 52.8 1.0
CA C:THR126 4.7 51.1 1.0
CA C:ASP125 4.8 47.6 1.0
C C:LYS127 4.8 60.0 1.0
C C:ASN87 4.8 53.4 1.0
C C:PHE88 4.9 55.0 1.0
O4 C:OXL602 4.9 70.7 1.0

Potassium binding site 4 out of 8 in 7frz

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Potassium binding site 4 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 7


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 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K604

b:51.3
occ:1.00
O D:THR126 2.6 39.6 1.0
OD1 D:ASP125 2.6 37.6 1.0
OD1 D:ASN87 2.7 35.7 1.0
OG D:SER89 2.7 42.4 1.0
O D:HOH739 2.9 47.4 1.0
C D:THR126 3.5 39.2 1.0
CG D:ASP125 3.6 36.0 1.0
OG D:SER255 3.6 36.6 1.0
CG D:ASN87 3.8 33.0 1.0
CB D:SER89 3.8 39.8 1.0
O D:ASP125 3.8 33.1 1.0
NZ D:LYS282 4.1 37.3 1.0
C D:ASP125 4.1 33.0 1.0
N D:SER89 4.1 38.0 1.0
CA D:LYS127 4.1 45.5 1.0
N D:LYS127 4.2 42.0 1.0
CB D:ASP125 4.2 32.3 1.0
ND2 D:ASN87 4.3 31.4 1.0
OD2 D:ASP125 4.4 36.4 1.0
N D:THR126 4.4 33.5 1.0
O D:LYS127 4.5 48.6 1.0
NH2 D:ARG85 4.5 33.5 1.0
CA D:SER89 4.5 39.1 1.0
CA D:THR126 4.6 35.2 1.0
C D:LYS127 4.6 48.6 1.0
N D:PHE88 4.7 32.2 1.0
CA D:ASP125 4.8 32.1 1.0
CB D:SER255 4.8 36.3 1.0
CB D:ASN87 5.0 29.9 1.0

Potassium binding site 5 out of 8 in 7frz

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Potassium binding site 5 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Allosteric Modulator 7


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 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K604

b:115.8
occ:1.00
OD1 E:ASN87 2.6 72.9 1.0
OD1 E:ASP125 2.7 79.5 1.0
O E:THR126 2.7 79.0 1.0
OG E:SER89 2.7 81.9 1.0
CG E:ASP125 3.6 79.0 1.0
C E:THR126 3.6 78.8 1.0
CG E:ASN87 3.7 71.9 1.0
OG E:SER255 3.7 61.3 1.0
CB E:SER89 3.8 79.5 1.0
O E:ASP125 3.8 74.1 1.0
NZ E:LYS282 4.1 56.8 1.0
C E:ASP125 4.1 74.1 1.0
N E:SER89 4.1 76.4 1.0
CB E:ASP125 4.2 74.5 1.0
CA E:LYS127 4.2 82.5 1.0
ND2 E:ASN87 4.3 72.6 1.0
N E:LYS127 4.3 80.7 1.0
NH2 E:ARG85 4.3 58.6 1.0
OD2 E:ASP125 4.4 81.1 1.0
N E:THR126 4.5 75.1 1.0
CA E:SER89 4.5 78.2 1.0
O E:LYS127 4.6 84.2 1.0
CA E:THR126 4.7 76.6 1.0
N E:PHE88 4.7 71.2 1.0
C E:LYS127 4.7 84.1 1.0
CA E:ASP125 4.8 72.7 1.0
CB E:ASN87 4.8 68.6 1.0
CA E:ASN87 4.9 67.3 1.0
CB E:SER255 4.9 60.0 1.0

Potassium binding site 6 out of 8 in 7frz

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


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 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K604

b:85.2
occ:1.00
OD1 F:ASN87 2.5 50.6 1.0
OD1 F:ASP125 2.7 60.7 1.0
OG F:SER89 2.7 60.8 1.0
O F:THR126 2.7 57.1 1.0
CG F:ASP125 3.6 59.8 1.0
C F:THR126 3.6 57.0 1.0
CG F:ASN87 3.7 50.3 1.0
CB F:SER89 3.8 59.6 1.0
OG F:SER255 3.8 48.0 1.0
O F:ASP125 3.8 49.5 1.0
C F:ASP125 4.1 50.8 1.0
N F:SER89 4.1 57.8 1.0
NZ F:LYS282 4.2 41.6 1.0
CB F:ASP125 4.2 53.0 1.0
CA F:LYS127 4.2 61.7 1.0
ND2 F:ASN87 4.2 51.4 1.0
N F:LYS127 4.3 59.3 1.0
NH2 F:ARG85 4.3 46.0 1.0
OD2 F:ASP125 4.4 62.7 1.0
N F:THR126 4.5 52.2 1.0
CA F:SER89 4.5 59.4 1.0
O F:LYS127 4.6 63.6 1.0
CA F:THR126 4.6 54.2 1.0
N F:PHE88 4.7 53.0 1.0
C F:LYS127 4.7 63.5 1.0
CA F:ASP125 4.8 50.1 1.0
CB F:ASN87 4.8 48.8 1.0
CA F:ASN87 4.9 48.7 1.0
CB F:SER255 5.0 45.2 1.0

Potassium binding site 7 out of 8 in 7frz

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


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 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K604

b:66.7
occ:1.00
OD1 G:ASN87 2.6 41.4 1.0
O G:THR126 2.7 42.6 1.0
OG G:SER89 2.7 51.4 1.0
OD1 G:ASP125 2.8 48.0 1.0
C G:THR126 3.6 42.8 1.0
CG G:ASP125 3.6 46.1 1.0
CG G:ASN87 3.7 40.5 1.0
CB G:SER89 3.8 48.6 1.0
OG G:SER255 3.8 42.5 1.0
O G:ASP125 3.8 39.9 1.0
N G:SER89 4.1 45.6 1.0
CA G:LYS127 4.1 46.7 1.0
C G:ASP125 4.1 40.0 1.0
N G:LYS127 4.2 44.4 1.0
NZ G:LYS282 4.2 37.2 1.0
ND2 G:ASN87 4.2 40.5 1.0
CB G:ASP125 4.3 40.8 1.0
NH2 G:ARG85 4.4 44.5 1.0
OD2 G:ASP125 4.4 48.1 1.0
CA G:SER89 4.5 47.6 1.0
O G:LYS127 4.5 47.8 1.0
N G:THR126 4.5 40.0 1.0
CA G:THR126 4.6 40.9 1.0
C G:LYS127 4.6 47.7 1.0
N G:PHE88 4.7 40.8 1.0
CA G:ASP125 4.8 39.1 1.0
CB G:ASN87 4.9 38.5 1.0
CA G:ASN87 4.9 38.6 1.0
O G:HOH819 5.0 48.7 1.0
C G:PHE88 5.0 44.2 1.0
CB G:SER255 5.0 39.7 1.0

Potassium binding site 8 out of 8 in 7frz

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


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 7 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:K604

b:51.5
occ:1.00
OD1 H:ASP125 2.5 39.8 1.0
O H:THR126 2.6 36.2 1.0
O H:HOH855 2.6 52.8 1.0
O H:HOH871 2.6 49.8 1.0
OD1 H:ASN87 2.7 34.8 1.0
OG H:SER89 2.9 40.8 1.0
CG H:ASP125 3.4 38.5 1.0
C H:THR126 3.5 36.8 1.0
OG H:SER255 3.5 34.5 1.0
O H:ASP125 3.8 31.7 1.0
CG H:ASN87 3.8 33.8 1.0
NZ H:LYS282 4.0 26.7 1.0
CB H:SER89 4.0 37.6 1.0
C H:ASP125 4.0 32.4 1.0
CB H:ASP125 4.1 33.0 1.0
N H:LYS127 4.2 39.3 1.0
CA H:LYS127 4.2 42.1 1.0
OD2 H:ASP125 4.2 40.9 1.0
N H:SER89 4.3 35.1 1.0
N H:THR126 4.3 33.5 1.0
NH2 H:ARG85 4.4 32.8 1.0
ND2 H:ASN87 4.4 33.8 1.0
CA H:THR126 4.5 34.5 1.0
O H:LYS127 4.6 44.5 1.0
O H:HOH710 4.6 32.0 1.0
CA H:ASP125 4.7 31.2 1.0
C H:LYS127 4.7 44.6 1.0
CA H:SER89 4.7 36.7 1.0
N H:PHE88 4.7 30.4 1.0
CB H:SER255 4.8 32.4 1.0
CB H:ASN87 5.0 30.5 1.0
CA H:ASN87 5.0 30.1 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: Mon Aug 12 18:56:56 2024

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