Chlorine in PDB 6b6u: Pyruvate Kinase M2 Mutant - S437Y

All present enzymatic activity of Pyruvate Kinase M2 Mutant - S437Y:
2.7.1.40;

The structure of Pyruvate Kinase M2 Mutant - S437Y, PDB code: 6b6u was solved by D.Srivastava, M.Dey, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.99 / 1.35
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.350, 93.610, 109.360, 90.00, 95.64, 90.00
R / Rfree (%)	13 / 14.9

The structure of Pyruvate Kinase M2 Mutant - S437Y also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Pyruvate Kinase M2 Mutant - S437Y (pdb code 6b6u). 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 - S437Y, PDB code: 6b6u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pyruvate Kinase M2 Mutant - S437Y


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 - S437Y within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:10.4 occ:1.00 O A:HOH795 2.7 10.1 1.0 O A:TYR466 2.7 9.1 1.0 O A:ILE469 2.9 12.8 1.0 O A:ASN44 2.9 10.5 1.0 O A:HOH923 3.0 21.4 1.0 H A:ILE469 3.2 12.5 1.0 O A:HIS464 3.2 12.2 1.0 O A:HOH1065 3.2 29.2 1.0 H A:GLY468 3.3 11.7 1.0 HA A:HIS464 3.5 11.8 1.0 N A:ILE469 3.6 10.4 1.0 H A:GLY46 3.7 10.2 1.0 HA A:ARG467 3.7 10.5 1.0 C A:TYR466 3.7 8.4 1.0 N A:GLY468 3.8 9.8 1.0 C A:ILE469 3.8 10.8 1.0 HB A:ILE469 3.9 12.3 1.0 N A:GLY46 4.0 8.5 1.0 C A:ASN44 4.0 10.1 1.0 C A:HIS464 4.0 10.7 1.0 HA3 A:GLY46 4.1 10.8 1.0 CA A:ILE469 4.2 10.5 1.0 HA2 A:GLY46 4.2 10.8 1.0 C A:ARG467 4.2 8.5 1.0 CA A:ARG467 4.2 8.7 1.0 CA A:HIS464 4.3 9.8 1.0 C A:GLY468 4.3 10.3 1.0 CA A:GLY46 4.3 9.0 1.0 N A:ARG467 4.4 8.1 1.0 HA A:ASN44 4.5 13.7 1.0 H A:TYR466 4.5 10.7 1.0 HA A:THR45 4.5 10.2 1.0 CA A:GLY468 4.5 10.6 1.0 C A:THR45 4.6 9.2 1.0 CB A:ILE469 4.6 10.3 1.0 N A:TYR466 4.6 8.9 1.0 O A:ALA463 4.7 9.4 1.0 CA A:TYR466 4.8 8.8 1.0 N A:THR45 4.8 8.9 1.0 HB3 A:HIS464 4.8 12.1 1.0 HA2 A:GLY468 4.8 12.8 1.0 CA A:ASN44 4.8 11.4 1.0 CA A:THR45 4.9 8.5 1.0 ND1 A:HIS464 4.9 10.4 1.0 HD3 A:PRO471 5.0 14.4 1.0 N A:PHE470 5.0 11.1 1.0

Chlorine binding site 2 out of 2 in the Pyruvate Kinase M2 Mutant - S437Y


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 - S437Y within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:11.0 occ:1.00 O B:TYR466 2.7 9.3 1.0 O B:HOH816 2.7 10.1 1.0 O B:HOH1012 2.7 17.4 1.0 O B:ASN44 2.9 11.7 1.0 O B:HOH861 2.9 23.9 1.0 O B:ILE469 2.9 14.3 1.0 O B:HIS464 3.1 14.2 1.0 H B:ILE469 3.2 12.3 1.0 HA B:HIS464 3.4 14.2 1.0 H B:GLY468 3.4 11.1 1.0 O B:HOH978 3.5 41.3 1.0 C B:TYR466 3.7 8.2 1.0 N B:ILE469 3.7 10.2 1.0 H B:GLY46 3.7 10.5 1.0 HA B:ARG467 3.7 11.3 1.0 N B:GLY468 3.9 9.3 1.0 C B:ILE469 3.9 12.5 1.0 C B:HIS464 3.9 12.1 1.0 HB B:ILE469 3.9 13.2 1.0 C B:ASN44 4.0 11.6 1.0 N B:GLY46 4.0 8.7 1.0 CA B:HIS464 4.1 11.8 1.0 HA3 B:GLY46 4.2 10.2 1.0 CA B:ILE469 4.2 10.5 1.0 CA B:ARG467 4.2 9.4 1.0 C B:ARG467 4.3 9.3 1.0 H B:TYR466 4.3 10.8 1.0 HA2 B:GLY46 4.3 10.2 1.0 N B:ARG467 4.3 8.5 1.0 C B:GLY468 4.4 10.6 1.0 O B:ALA463 4.4 12.1 1.0 CA B:GLY46 4.4 8.5 1.0 N B:TYR466 4.5 9.0 1.0 HA B:ASN44 4.5 15.2 1.0 HA B:THR45 4.5 11.6 1.0 CB B:ILE469 4.6 11.0 1.0 CA B:GLY468 4.6 11.2 1.0 C B:THR45 4.6 9.2 1.0 CA B:TYR466 4.7 9.3 1.0 HB3 B:HIS464 4.8 14.5 1.0 N B:THR45 4.8 10.2 1.0 CA B:THR45 4.9 9.7 1.0 CA B:ASN44 4.9 12.7 1.0 ND1 B:HIS464 4.9 11.1 1.0 HA2 B:GLY468 4.9 13.5 1.0 HD3 B:PRO471 4.9 15.8 1.0

D.Srivastava, M.Razzaghi, M.T.Henzl, M.Dey. Structural Investigation of A Dimeric Variant of Pyruvate Kinase Muscle Isoform 2. Biochemistry V. 56 6517 2017.
ISSN: ISSN 1520-4995
PubMed: 29182273
DOI: 10.1021/ACS.BIOCHEM.7B01013