Chlorine in PDB 6v74: Crystal Structure of Human PKM2 in Complex with L-Asparagine

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

The structure of Crystal Structure of Human PKM2 in Complex with L-Asparagine, PDB code: 6v74 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)	58.62 / 2.32
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	80.990, 154.580, 92.150, 90.00, 102.54, 90.00
R / Rfree (%)	23.3 / 27.5

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

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

The binding sites of Chlorine atom in the Crystal Structure of Human PKM2 in Complex with L-Asparagine (pdb code 6v74). 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-Asparagine, PDB code: 6v74:
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-Asparagine


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-Asparagine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:56.8 occ:1.00 NH1 B:ARG73 3.8 41.3 1.0 CG2 B:THR50 3.8 37.5 1.0 CB B:SER362 3.9 44.0 1.0 ND2 B:ASN75 3.9 47.3 1.0 OG B:SER362 4.2 48.1 1.0 C B:SER362 4.2 42.8 1.0 CA B:SER362 4.3 44.9 1.0 N B:GLY363 4.3 43.5 1.0 CB B:ALA366 4.4 41.8 1.0 CB B:THR50 4.5 47.5 1.0 O1 B:GOL603 4.6 46.3 1.0 OG1 B:THR50 4.7 44.7 1.0 O B:SER362 4.7 44.9 1.0 CZ B:ARG73 4.8 42.4 1.0 CB B:ASN75 4.8 36.7 1.0 CG B:ASN75 4.8 43.2 1.0 NH2 B:ARG73 4.8 36.3 1.0 CA B:GLY363 5.0 47.4 1.0

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


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-Asparagine within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl603 b:37.8 occ:1.00 NH1 C:ARG56 3.4 48.3 1.0 N B:TRP482 3.6 39.9 1.0 CB C:ARG56 3.8 46.8 1.0 CA C:PRO53 3.9 41.3 1.0 CD C:ARG56 4.0 47.3 1.0 CG C:ARG56 4.1 47.1 1.0 CA B:ALA481 4.2 53.5 1.0 CB B:TRP482 4.2 50.0 1.0 O C:PRO53 4.3 48.0 1.0 C B:ALA481 4.4 45.4 1.0 O B:GLU480 4.4 56.4 1.0 CA B:TRP482 4.5 47.5 1.0 CB C:PRO53 4.5 44.4 1.0 CZ C:ARG56 4.5 48.7 1.0 C C:PRO53 4.6 47.3 1.0 N C:PRO53 4.7 49.0 1.0 NE C:ARG56 4.7 46.5 1.0 O C:GLY52 4.7 43.8 1.0 CB B:ALA481 4.9 43.2 1.0 CE1 C:TYR83 5.0 45.3 1.0

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