Atomistry » Potassium » PDB 5sc8-5u3q » 5scd
Atomistry »
  Potassium »
    PDB 5sc8-5u3q »
      5scd »

Potassium in PDB 5scd: Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58

Enzymatic activity of Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58

All present enzymatic activity of Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58:
2.7.1.40;

Protein crystallography data

The structure of Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58, PDB code: 5scd was solved by A.Lulla, A.Foller, A.Nain-Perez, M.Grotli, P.Brear, M.Hyvonen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 103.82 / 2.04
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 207.725, 113.012, 188.817, 90, 91.63, 90
R / Rfree (%) 20.2 / 22.6

Other elements in 5scd:

The structure of Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58 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 Anthraquinone Derivative 58 (pdb code 5scd). 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 Anthraquinone Derivative 58, PDB code: 5scd:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 5scd

Go back to Potassium Binding Sites List in 5scd
Potassium binding site 1 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58


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 Anthraquinone Derivative 58 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K604

b:92.0
occ:1.00
OD1 A:ASN87 2.4 67.7 1.0
OG A:SER89 2.6 75.9 1.0
OD1 A:ASP125 2.6 68.8 1.0
O A:THR126 2.8 71.2 1.0
CG A:ASN87 3.5 67.3 1.0
CB A:SER89 3.6 73.6 1.0
CG A:ASP125 3.6 68.3 1.0
C A:THR126 3.7 71.4 1.0
OG A:SER255 3.8 66.2 1.0
ND2 A:ASN87 4.0 68.0 1.0
O A:ASP125 4.0 63.5 1.0
NZ A:LYS282 4.0 57.6 1.0
N A:SER89 4.1 71.3 1.0
C A:ASP125 4.3 63.7 1.0
CA A:LYS127 4.3 76.4 1.0
N A:LYS127 4.3 74.0 1.0
CB A:ASP125 4.3 63.5 1.0
NH2 A:ARG85 4.4 59.1 1.0
CA A:SER89 4.4 72.6 1.0
OD2 A:ASP125 4.5 70.4 1.0
N A:THR126 4.6 65.7 1.0
N A:PHE88 4.7 68.0 1.0
CA A:THR126 4.7 68.1 1.0
CB A:ASN87 4.7 65.6 1.0
O A:LYS127 4.8 78.3 1.0
C A:LYS127 4.8 78.2 1.0
CA A:ASN87 4.9 64.9 1.0
O2 A:OXL602 4.9 67.6 1.0
CA A:ASP125 4.9 61.7 1.0
C A:PHE88 5.0 71.1 1.0

Potassium binding site 2 out of 8 in 5scd

Go back to Potassium Binding Sites List in 5scd
Potassium binding site 2 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58


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 Anthraquinone Derivative 58 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K605

b:77.7
occ:1.00
O B:HOH801 2.4 58.5 1.0
OD1 B:ASN87 2.5 59.5 1.0
OG B:SER89 2.6 73.4 1.0
OD1 B:ASP125 2.6 67.2 1.0
O B:THR126 2.6 65.3 1.0
C B:THR126 3.5 65.2 1.0
CG B:ASN87 3.6 60.5 1.0
CB B:SER89 3.6 71.6 1.0
CG B:ASP125 3.6 66.2 1.0
OG B:SER255 3.7 54.5 1.0
O B:ASP125 3.8 58.4 1.0
N B:SER89 4.0 69.7 1.0
NZ B:LYS282 4.1 55.8 1.0
CA B:LYS127 4.1 70.7 1.0
ND2 B:ASN87 4.1 60.8 1.0
C B:ASP125 4.1 58.7 1.0
N B:LYS127 4.1 67.9 1.0
CB B:ASP125 4.3 60.4 1.0
CA B:SER89 4.4 70.6 1.0
N B:THR126 4.4 59.9 1.0
NH2 B:ARG85 4.5 48.5 1.0
OD2 B:ASP125 4.5 68.8 1.0
CA B:THR126 4.5 62.0 1.0
O B:LYS127 4.6 73.0 1.0
N B:PHE88 4.6 65.9 1.0
C B:LYS127 4.6 73.1 1.0
CB B:ASN87 4.8 60.8 1.0
CA B:ASP125 4.9 58.2 1.0
C B:PHE88 4.9 69.5 1.0
CA B:ASN87 4.9 61.1 1.0
CB B:SER255 5.0 53.0 1.0

Potassium binding site 3 out of 8 in 5scd

Go back to Potassium Binding Sites List in 5scd
Potassium binding site 3 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58


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 Anthraquinone Derivative 58 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K605

b:68.0
occ:1.00
OD1 C:ASN87 2.5 50.4 1.0
OD1 C:ASP125 2.6 52.7 1.0
OG C:SER89 2.7 54.3 1.0
O C:THR126 2.8 43.6 1.0
CG C:ASN87 3.6 49.1 1.0
CG C:ASP125 3.6 50.7 1.0
CB C:SER89 3.7 52.0 1.0
OG C:SER255 3.7 43.3 1.0
C C:THR126 3.7 44.6 1.0
NZ C:LYS282 3.9 46.4 1.0
ND2 C:ASN87 4.0 48.5 1.0
O C:ASP125 4.1 44.0 1.0
N C:SER89 4.2 50.5 1.0
CA C:LYS127 4.3 48.4 1.0
C C:ASP125 4.3 43.8 1.0
NH2 C:ARG85 4.3 44.6 1.0
CB C:ASP125 4.3 43.5 1.0
N C:LYS127 4.4 46.3 1.0
OD2 C:ASP125 4.4 53.7 1.0
O C:HOH726 4.5 52.1 1.0
CA C:SER89 4.5 51.4 1.0
N C:THR126 4.6 43.7 1.0
O C:LYS127 4.6 51.1 1.0
CA C:THR126 4.8 43.7 1.0
C C:LYS127 4.8 50.2 1.0
N C:PHE88 4.8 49.1 1.0
CB C:ASN87 4.8 46.6 1.0
CB C:SER255 4.9 39.2 1.0
O4 C:OXL602 5.0 52.6 1.0
CA C:ASP125 5.0 42.2 1.0

Potassium binding site 4 out of 8 in 5scd

Go back to Potassium Binding Sites List in 5scd
Potassium binding site 4 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58


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 Anthraquinone Derivative 58 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K604

b:60.8
occ:1.00
OD1 D:ASN87 2.4 38.2 1.0
OD1 D:ASP125 2.5 41.4 1.0
OG D:SER89 2.6 40.8 1.0
O D:THR126 2.7 42.3 1.0
CG D:ASP125 3.5 39.5 1.0
CG D:ASN87 3.5 37.1 1.0
C D:THR126 3.5 42.3 1.0
CB D:SER89 3.6 39.1 1.0
O D:ASP125 3.7 39.2 1.0
OG D:SER255 3.8 37.2 1.0
N D:SER89 3.9 38.8 1.0
C D:ASP125 4.0 37.6 1.0
ND2 D:ASN87 4.1 36.0 1.0
CB D:ASP125 4.1 36.1 1.0
NZ D:LYS282 4.1 40.1 1.0
N D:LYS127 4.2 44.9 1.0
CA D:LYS127 4.2 48.2 1.0
N D:THR126 4.3 37.5 1.0
CA D:SER89 4.3 39.4 1.0
OD2 D:ASP125 4.4 40.6 1.0
NH2 D:ARG85 4.4 39.0 1.0
N D:PHE88 4.5 36.5 1.0
CA D:THR126 4.5 38.7 1.0
O D:LYS127 4.7 52.8 1.0
CA D:ASP125 4.7 36.1 1.0
CB D:ASN87 4.7 35.5 1.0
C D:LYS127 4.7 51.6 1.0
CA D:ASN87 4.8 35.8 1.0
C D:PHE88 4.8 39.1 1.0
C D:ASN87 4.9 36.8 1.0

Potassium binding site 5 out of 8 in 5scd

Go back to Potassium Binding Sites List in 5scd
Potassium binding site 5 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58


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 Anthraquinone Derivative 58 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K605

b:102.5
occ:1.00
OD1 E:ASN87 2.4 70.2 1.0
OG E:SER89 2.6 82.0 1.0
OD1 E:ASP125 2.6 80.2 1.0
O E:THR126 2.6 76.4 1.0
C E:THR126 3.5 76.2 1.0
CG E:ASN87 3.5 69.1 1.0
CB E:SER89 3.6 79.5 1.0
CG E:ASP125 3.6 79.6 1.0
O E:ASP125 3.7 73.9 1.0
OG E:SER255 3.8 63.2 1.0
N E:SER89 3.9 76.4 1.0
C E:ASP125 4.0 73.6 1.0
CA E:LYS127 4.1 79.5 1.0
N E:LYS127 4.1 77.8 1.0
ND2 E:ASN87 4.1 69.6 1.0
CB E:ASP125 4.2 75.3 1.0
NZ E:LYS282 4.2 59.8 1.0
CA E:SER89 4.3 78.1 1.0
N E:THR126 4.3 73.5 1.0
N E:PHE88 4.4 71.4 1.0
CA E:THR126 4.5 74.4 1.0
NH2 E:ARG85 4.5 52.1 1.0
OD2 E:ASP125 4.5 81.7 1.0
C E:LYS127 4.7 80.8 1.0
O E:LYS127 4.7 81.0 1.0
CB E:ASN87 4.7 67.0 1.0
C E:PHE88 4.7 75.1 1.0
CA E:ASP125 4.7 73.2 1.0
CA E:ASN87 4.8 67.0 1.0
C E:ASN87 4.8 69.6 1.0

Potassium binding site 6 out of 8 in 5scd

Go back to Potassium Binding Sites List in 5scd
Potassium binding site 6 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58


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 Anthraquinone Derivative 58 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:K605

b:83.4
occ:1.00
OD1 F:ASN87 2.5 52.0 1.0
OD1 F:ASP125 2.6 61.4 1.0
O F:THR126 2.6 59.9 1.0
OG F:SER89 2.6 59.7 1.0
C F:THR126 3.5 59.7 1.0
CG F:ASP125 3.6 59.4 1.0
CG F:ASN87 3.6 52.2 1.0
CB F:SER89 3.6 58.7 1.0
OG F:SER255 3.7 49.8 1.0
O F:ASP125 3.8 51.4 1.0
N F:SER89 4.0 57.6 1.0
NZ F:LYS282 4.1 43.7 1.0
CA F:LYS127 4.1 64.2 1.0
C F:ASP125 4.1 52.3 1.0
N F:LYS127 4.1 61.9 1.0
ND2 F:ASN87 4.1 53.1 1.0
CB F:ASP125 4.3 53.1 1.0
N F:THR126 4.4 54.0 1.0
CA F:SER89 4.4 57.9 1.0
OD2 F:ASP125 4.5 62.1 1.0
CA F:THR126 4.5 56.3 1.0
NH2 F:ARG85 4.5 44.8 1.0
O F:LYS127 4.6 66.4 1.0
C F:LYS127 4.6 66.0 1.0
N F:PHE88 4.6 54.7 1.0
CA F:ASP125 4.8 51.6 1.0
CB F:ASN87 4.9 51.1 1.0
CB F:SER255 4.9 48.6 1.0
C F:PHE88 4.9 57.9 1.0
CA F:ASN87 5.0 51.8 1.0

Potassium binding site 7 out of 8 in 5scd

Go back to Potassium Binding Sites List in 5scd
Potassium binding site 7 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58


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 Anthraquinone Derivative 58 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:K605

b:64.3
occ:1.00
OD1 G:ASP125 2.6 43.4 1.0
OG G:SER89 2.7 44.7 1.0
O G:THR126 2.7 39.5 1.0
OD1 G:ASN87 2.7 42.7 1.0
OG G:SER255 3.6 37.5 1.0
CG G:ASP125 3.6 41.8 1.0
C G:THR126 3.7 40.1 1.0
CG G:ASN87 3.7 41.5 1.0
CB G:SER89 3.8 42.7 1.0
NZ G:LYS282 3.8 43.4 1.0
O G:HOH816 4.1 61.1 1.0
O G:ASP125 4.1 36.9 1.0
ND2 G:ASN87 4.1 40.9 1.0
CA G:LYS127 4.2 44.8 1.0
N G:LYS127 4.3 42.0 1.0
N G:SER89 4.3 41.4 1.0
C G:ASP125 4.3 36.6 1.0
NH2 G:ARG85 4.4 42.5 1.0
OD2 G:ASP125 4.4 41.7 1.0
CB G:ASP125 4.4 35.8 1.0
O G:LYS127 4.5 47.8 1.0
N G:THR126 4.6 36.7 1.0
CA G:SER89 4.6 42.1 1.0
C G:LYS127 4.6 46.8 1.0
CA G:THR126 4.7 38.2 1.0
O2 G:OXL602 4.8 49.2 1.0
CB G:SER255 4.8 36.3 1.0
N G:PHE88 5.0 39.3 1.0
CB G:ASN87 5.0 40.2 1.0

Potassium binding site 8 out of 8 in 5scd

Go back to Potassium Binding Sites List in 5scd
Potassium binding site 8 out of 8 in the Structure of Liver Pyruvate Kinase in Complex with Anthraquinone Derivative 58


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 Anthraquinone Derivative 58 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:K604

b:58.4
occ:1.00
O H:HOH900 2.3 53.5 1.0
OD1 H:ASP125 2.4 42.6 1.0
OD1 H:ASN87 2.4 39.4 1.0
O H:THR126 2.5 42.2 1.0
OG H:SER89 2.8 41.5 1.0
C H:THR126 3.4 42.7 1.0
CG H:ASP125 3.4 41.3 1.0
O H:ASP125 3.6 35.1 1.0
CG H:ASN87 3.6 37.1 1.0
OG H:SER255 3.7 38.0 1.0
CB H:SER89 3.7 40.0 1.0
C H:ASP125 3.8 35.5 1.0
N H:SER89 3.9 40.2 1.0
CB H:ASP125 4.0 35.5 1.0
N H:LYS127 4.1 45.4 1.0
NZ H:LYS282 4.1 37.2 1.0
CA H:LYS127 4.1 48.7 1.0
N H:THR126 4.2 36.9 1.0
ND2 H:ASN87 4.2 36.8 1.0
OD2 H:ASP125 4.3 42.6 1.0
CA H:THR126 4.4 39.0 1.0
CA H:SER89 4.4 40.5 1.0
N H:PHE88 4.4 36.9 1.0
NH2 H:ARG85 4.5 37.1 1.0
CA H:ASP125 4.6 34.5 1.0
CB H:ASN87 4.7 34.9 1.0
C H:LYS127 4.7 51.4 1.0
CA H:ASN87 4.7 35.3 1.0
O H:LYS127 4.8 51.4 1.0
C H:PHE88 4.8 39.9 1.0
C H:ASN87 4.8 36.1 1.0
O H:HOH715 4.9 41.6 1.0
CB H:SER255 5.0 36.9 1.0

Reference:

A.Nain-Perez, A.Foller Fuchtbauer, L.Haversen, A.Lulla, C.Gao, J.Matic, L.Monjas, A.Rodriguez, P.Brear, W.Kim, M.Hyvonen, J.Boren, A.Mardinoglu, M.Uhlen, M.Grotli. Anthraquinone Derivatives As Adp-Competitive Inhibitors of Liver Pyruvate Kinase. Eur.J.Med.Chem. V. 234 14270 2022.
ISSN: ISSN 0223-5234
PubMed: 35290845
DOI: 10.1016/J.EJMECH.2022.114270
Page generated: Mon Aug 12 14:24:46 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy