Chlorine in PDB 2aj4: Crystal Structure of Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp

All present enzymatic activity of Crystal Structure of Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp:
2.7.1.6;

The structure of Crystal Structure of Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp, PDB code: 2aj4 was solved by J.B.Thoden, C.A.Sellick, D.J.Timson, R.J.Reece, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.300, 85.000, 112.300, 90.00, 96.70, 90.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structure of Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp (pdb code 2aj4). 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 Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp, PDB code: 2aj4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp


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 Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl531 b:33.8 occ:1.00 ND1 A:HIS135 3.0 29.7 1.0 N A:VAL114 3.4 31.9 1.0 CD2 A:TYR113 3.5 38.2 1.0 CD2 A:LEU131 3.7 21.4 1.0 CA A:TYR113 3.7 30.4 1.0 CG A:LEU131 3.8 28.0 1.0 CG A:HIS135 3.9 27.9 1.0 CE1 A:HIS135 4.0 30.3 1.0 CA A:HIS132 4.0 22.3 1.0 CB A:TYR113 4.0 36.0 1.0 CB A:HIS135 4.0 21.3 1.0 CB A:VAL114 4.0 34.0 1.0 C A:TYR113 4.1 33.0 1.0 N A:HIS132 4.2 18.2 1.0 CG2 A:VAL114 4.2 37.1 1.0 CG A:TYR113 4.2 36.2 1.0 CA A:VAL114 4.3 30.3 1.0 CE2 A:TYR113 4.4 41.2 1.0 C A:LEU131 4.4 24.0 1.0 O A:LEU131 4.6 22.2 1.0 CD2 A:HIS132 4.7 35.0 1.0 CB A:HIS132 4.7 25.0 1.0 CB A:LEU131 4.7 24.0 1.0 O A:VAL114 4.8 37.2 1.0 CG A:HIS132 4.8 33.9 1.0 CD1 A:LEU131 4.8 23.1 1.0 N A:TYR113 4.9 29.8 1.0 O A:SER112 4.9 39.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp


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 Saccharomyces Cerevisiae Galactokinase in Complex with Galactose and Mg:Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl531 b:48.6 occ:1.00 ND1 B:HIS135 3.0 44.8 1.0 CD2 B:TYR113 3.5 38.6 1.0 CG B:LEU131 3.6 37.7 1.0 CA B:HIS132 3.6 24.6 1.0 CB B:HIS135 3.7 29.4 1.0 N B:VAL114 3.7 39.1 1.0 CD2 B:LEU131 3.7 32.5 1.0 CG B:HIS135 3.7 40.1 1.0 N B:HIS132 3.9 25.6 1.0 CA B:TYR113 3.9 40.2 1.0 CG2 B:VAL114 4.0 44.6 1.0 CE1 B:HIS135 4.1 46.4 1.0 C B:LEU131 4.2 32.1 1.0 CB B:TYR113 4.2 35.1 1.0 O B:LEU131 4.3 36.8 1.0 CG B:TYR113 4.4 38.2 1.0 C B:TYR113 4.4 50.4 1.0 CE2 B:TYR113 4.4 38.9 1.0 CB B:LEU131 4.4 27.4 1.0 CB B:HIS132 4.6 26.4 1.0 C B:HIS132 4.6 31.8 1.0 CD1 B:LEU131 4.6 41.2 1.0 O B:HIS132 4.6 37.1 1.0 CG B:HIS132 4.7 38.2 1.0 CA B:VAL114 4.7 41.5 1.0 CB B:VAL114 4.7 45.5 1.0 CD2 B:HIS132 4.7 47.0 1.0 CG1 B:VAL114 4.7 46.9 1.0 O B:VAL114 4.9 46.4 1.0 CA B:LEU131 5.0 25.4 1.0 CD2 B:HIS135 5.0 47.9 1.0

J.B.Thoden, C.A.Sellick, D.J.Timson, R.J.Reece, H.M.Holden. Molecular Structure of Saccharomyces Cerevisiae GAL1P, A Bifunctional Galactokinase and Transcriptional Inducer J.Biol.Chem. V. 280 36905 2005.
ISSN: ISSN 0021-9258
PubMed: 16115868
DOI: 10.1074/JBC.M508446200