Chlorine in PDB 6wp4: Pyruvate Kinase M2 Mutant-S37E

All present enzymatic activity of Pyruvate Kinase M2 Mutant-S37E:
2.7.1.40;

The structure of Pyruvate Kinase M2 Mutant-S37E, PDB code: 6wp4 was solved by S.Nandi, M.Razzaghi, D.Srivastava, M.Dey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.53 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	94.167, 132.628, 110.128, 90.00, 112.74, 90.00
R / Rfree (%)	18.9 / 22.1

The structure of Pyruvate Kinase M2 Mutant-S37E also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Potassium	(K)	5 atoms

The binding sites of Chlorine atom in the Pyruvate Kinase M2 Mutant-S37E (pdb code 6wp4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pyruvate Kinase M2 Mutant-S37E, PDB code: 6wp4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pyruvate Kinase M2 Mutant-S37E


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pyruvate Kinase M2 Mutant-S37E within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl610 b:65.2 occ:1.00 NZ C:LYS247 3.5 46.4 1.0 NH1 C:ARG279 3.6 39.9 1.0 CD C:LYS247 4.0 38.6 1.0 NH2 C:ARG279 4.0 46.6 1.0 CZ C:ARG279 4.3 44.1 1.0 CE C:LYS247 4.3 44.4 1.0

Chlorine binding site 2 out of 2 in the Pyruvate Kinase M2 Mutant-S37E


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pyruvate Kinase M2 Mutant-S37E within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl611 b:55.0 occ:1.00 NE C:ARG278 3.6 41.6 1.0 NH2 C:ARG278 3.7 46.3 1.0 ND1 C:HIS274 3.7 40.9 1.0 CZ C:ARG278 4.1 43.3 1.0 CA C:GLU275 4.2 29.2 1.0 CB C:GLU275 4.2 34.8 1.0 N C:GLU275 4.2 30.8 1.0 O C:HOH783 4.5 31.0 1.0 CG C:HIS274 4.5 37.5 1.0 CB C:HIS274 4.5 33.5 1.0 CE1 C:HIS274 4.6 37.7 1.0 CD C:ARG278 4.6 45.6 1.0 C C:HIS274 4.7 30.6 1.0 CG C:GLU275 4.8 34.5 1.0

S.Nandi, M.Razzaghi, D.Srivastava, M.Dey. Structural Basis For Allosteric Regulation of Pyruvate Kinase M2 By Phosphorylation and Acetylation. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 32989054
DOI: 10.1074/JBC.RA120.015800