Chlorine in PDB 6v76: Crystal Structure of Human PKM2 in Complex with L-Valine

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

The structure of Crystal Structure of Human PKM2 in Complex with L-Valine, PDB code: 6v76 was solved by S.Nandi, M.Dey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.44 / 2.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.040, 154.980, 91.960, 90.00, 102.36, 90.00
R / Rfree (%)	22.3 / 26.5

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

Magnesium	(Mg)	2 atoms
Potassium	(K)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human PKM2 in Complex with L-Valine (pdb code 6v76). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human PKM2 in Complex with L-Valine, PDB code: 6v76:
Jump to Chlorine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human PKM2 in Complex with L-Valine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl601 b:39.6 occ:1.00 ND2 C:ASN75 3.3 36.4 1.0 NH1 C:ARG73 3.6 33.6 1.0 CB C:SER362 3.8 34.9 1.0 CG2 C:THR50 4.0 41.8 1.0 C C:SER362 4.1 38.6 1.0 CA C:SER362 4.2 33.5 1.0 N C:GLY363 4.2 40.0 1.0 CG C:ASN75 4.3 36.9 1.0 CB C:ASN75 4.4 36.1 1.0 O C:SER362 4.4 34.6 1.0 OG C:SER362 4.4 41.4 1.0 CZ C:ARG73 4.5 36.7 1.0 CB C:THR50 4.6 37.7 1.0 NH2 C:ARG73 4.6 40.1 1.0 CB C:ALA366 4.7 29.5 1.0 OG1 C:THR50 4.7 40.3 1.0 CA C:GLY363 4.8 40.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human PKM2 in Complex with L-Valine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human PKM2 in Complex with L-Valine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:53.8 occ:1.00 CG2 A:THR50 3.7 42.2 1.0 NH1 A:ARG73 3.7 41.3 1.0 CB A:SER362 3.8 46.9 1.0 ND2 A:ASN75 3.8 57.8 1.0 C A:SER362 4.2 44.5 1.0 CA A:SER362 4.2 49.9 1.0 CB A:ALA366 4.3 45.5 1.0 CB A:THR50 4.4 45.0 1.0 OG A:SER362 4.4 51.6 1.0 OG1 A:THR50 4.4 50.9 1.0 O A:SER362 4.5 44.6 1.0 N A:GLY363 4.5 44.0 1.0 CB A:ASN75 4.6 45.2 1.0 CZ A:ARG73 4.6 42.7 1.0 NH2 A:ARG73 4.6 41.2 1.0 CG A:ASN75 4.6 52.3 1.0

S.Nandi, M.Dey. Biochemical and Structural Investigation of Pyurvate Kinase Muscle Isoform 2 Regulation By Amino Acids To Be Published.