Potassium in PDB 6nu1: Crystal Structure of Human PKM2 in Complex with L-Cysteine

All present enzymatic activity of Crystal Structure of Human PKM2 in Complex with L-Cysteine:
2.7.1.40;

The structure of Crystal Structure of Human PKM2 in Complex with L-Cysteine, PDB code: 6nu1 was solved by D.Srivastava, S.Nandi, M.Dey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.70 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.829, 155.918, 94.136, 90.00, 103.51, 90.00
R / Rfree (%)	19.1 / 23.5

The structure of Crystal Structure of Human PKM2 in Complex with L-Cysteine also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Potassium atom in the Crystal Structure of Human PKM2 in Complex with L-Cysteine (pdb code 6nu1). 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 Human PKM2 in Complex with L-Cysteine, PDB code: 6nu1:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of Human PKM2 in Complex with L-Cysteine


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 Human PKM2 in Complex with L-Cysteine within 5.0Å range: probe atom residue distance (Å) B Occ B:K605 b:86.8 occ:1.00 OG B:SER77 2.8 49.4 1.0 OD1 B:ASN75 3.3 45.7 1.0 OD1 B:ASP113 3.4 39.1 1.0 O B:THR114 3.4 42.3 1.0 OG B:SER243 3.7 39.5 1.0 O B:HOH706 3.7 41.4 1.0 NZ B:LYS270 3.7 39.9 1.0 O B:HOH775 4.1 40.8 1.0 CG B:ASN75 4.1 41.2 1.0 CB B:SER77 4.2 50.5 1.0 ND2 B:ASN75 4.2 36.8 1.0 CG B:ASP113 4.3 40.2 1.0 O3 B:OXL604 4.3 44.3 1.0 NH2 B:ARG73 4.4 39.2 1.0 O B:LYS115 4.4 44.5 1.0 C B:THR114 4.4 41.5 1.0 CA B:LYS115 4.6 45.2 1.0 CB B:SER243 4.6 40.2 1.0 C B:LYS115 4.9 44.1 1.0 OE1 B:GLU118 4.9 68.5 1.0 MG B:MG603 4.9 41.3 1.0 OD2 B:ASP113 4.9 37.7 1.0 N B:SER77 5.0 42.4 1.0 N B:LYS115 5.0 41.9 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of Human PKM2 in Complex with L-Cysteine


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 Human PKM2 in Complex with L-Cysteine within 5.0Å range: probe atom residue distance (Å) B Occ D:K605 b:51.1 occ:1.00 OD1 D:ASP113 2.6 30.0 1.0 O D:THR114 2.7 25.8 1.0 OD1 D:ASN75 2.7 28.3 1.0 OG D:SER77 3.0 36.6 1.0 O D:HOH875 3.1 44.6 1.0 O D:HOH714 3.1 33.3 1.0 CG D:ASP113 3.4 30.4 1.0 OG D:SER243 3.6 24.1 1.0 C D:THR114 3.6 28.9 1.0 CG D:ASN75 3.6 34.9 1.0 NZ D:LYS270 3.8 24.6 1.0 O D:ASP113 3.9 24.0 1.0 OD2 D:ASP113 4.1 29.0 1.0 CB D:SER77 4.1 31.0 1.0 ND2 D:ASN75 4.1 27.0 1.0 C D:ASP113 4.2 26.6 1.0 CA D:LYS115 4.2 27.3 1.0 NH2 D:ARG73 4.2 29.1 1.0 CB D:ASP113 4.2 22.9 1.0 N D:LYS115 4.3 28.1 1.0 N D:SER77 4.3 27.0 1.0 N D:THR114 4.4 21.7 1.0 O D:HOH735 4.5 26.0 1.0 O D:LYS115 4.6 29.6 1.0 CA D:THR114 4.7 22.8 1.0 C D:LYS115 4.8 28.6 1.0 OE2 D:GLU118 4.8 46.4 1.0 CA D:SER77 4.8 33.7 1.0 CB D:ASN75 4.8 22.3 1.0 CB D:SER243 4.8 19.1 1.0 N D:PHE76 4.8 20.7 1.0 CA D:ASP113 4.8 23.6 1.0 CA D:ASN75 4.9 24.1 1.0

D.Srivastava, S.Nandi, M.Dey. Mechanistic and Structural Insights Into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2. Biochemistry V. 58 3669 2019.
ISSN: ISSN 0006-2960
PubMed: 31386812
DOI: 10.1021/ACS.BIOCHEM.9B00349