Chlorine in PDB 1ko1: Crystal Structure of Gluconate Kinase

All present enzymatic activity of Crystal Structure of Gluconate Kinase:
2.7.1.12;

The structure of Crystal Structure of Gluconate Kinase, PDB code: 1ko1 was solved by L.Kraft, G.A.Sprenger, Y.Lindqvist, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.09
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.556, 79.167, 70.091, 90.00, 105.20, 90.00
R / Rfree (%)	21.8 / 28

The binding sites of Chlorine atom in the Crystal Structure of Gluconate Kinase (pdb code 1ko1). 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 Gluconate Kinase, PDB code: 1ko1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Gluconate Kinase


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 Gluconate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl176 b:23.3 occ:1.00 O A:HOH237 3.1 34.2 1.0 N A:GLY18 3.1 27.5 1.0 N A:LYS21 3.2 24.1 1.0 NZ A:LYS21 3.3 21.5 1.0 N A:GLY20 3.4 26.4 1.0 N A:SER19 3.5 28.0 1.0 CB A:LYS21 3.8 23.1 1.0 O A:VAL16 3.8 23.6 1.0 CG A:LYS21 3.8 23.2 1.0 CA A:SER17 3.9 27.0 1.0 CE A:LYS21 3.9 21.9 1.0 C A:SER17 4.0 27.6 1.0 CA A:GLY20 4.0 26.4 1.0 CA A:GLY18 4.0 28.1 1.0 O A:HOH264 4.0 45.1 1.0 OG A:SER19 4.1 27.0 1.0 C A:GLY18 4.1 28.5 1.0 C A:GLY20 4.1 25.1 1.0 CA A:LYS21 4.1 23.6 1.0 C A:SER19 4.1 27.3 1.0 O A:HOH187 4.3 26.1 1.0 CA A:SER19 4.3 27.6 1.0 CD A:LYS21 4.5 23.5 1.0 C A:VAL16 4.6 23.8 1.0 O A:HOH218 4.7 19.5 1.0 N A:SER17 4.7 24.9 1.0 N A:SER22 4.8 21.9 1.0 CB A:SER19 4.8 27.8 1.0 CB A:SER17 4.9 27.5 1.0 OG A:SER17 5.0 31.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Gluconate Kinase


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 Gluconate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl176 b:23.0 occ:1.00 O B:HOH188 2.9 28.9 1.0 NZ B:LYS21 2.9 23.9 1.0 N B:GLY18 3.2 23.1 1.0 N B:LYS21 3.3 20.4 1.0 N B:GLY20 3.4 21.4 1.0 O B:HOH221 3.5 39.0 1.0 N B:SER19 3.5 21.9 1.0 CG B:LYS21 3.6 18.6 1.0 O B:VAL16 3.8 19.9 1.0 CB B:LYS21 3.8 19.7 1.0 CE B:LYS21 3.8 21.9 1.0 NH2 B:ARG124 3.9 40.7 1.0 O B:HOH231 3.9 22.2 1.0 CA B:GLY20 4.0 21.4 1.0 CA B:SER17 4.0 24.2 1.0 OG B:SER19 4.0 21.5 1.0 C B:SER17 4.1 24.1 1.0 CA B:GLY18 4.1 22.9 1.0 C B:GLY18 4.1 23.0 1.0 C B:GLY20 4.1 21.7 1.0 C B:SER19 4.1 21.4 1.0 CA B:LYS21 4.2 20.2 1.0 CA B:SER19 4.3 21.9 1.0 CD B:LYS21 4.3 18.8 1.0 O B:HOH185 4.4 21.9 1.0 C B:VAL16 4.6 20.7 1.0 N B:SER17 4.8 21.2 1.0 CB B:SER19 4.8 21.4 1.0 O B:HOH189 4.9 21.8 1.0 N B:SER22 4.9 20.5 1.0

L.Kraft, G.A.Sprenger, Y.Lindqvist. Conformational Changes During the Catalytic Cycle of Gluconate Kinase As Revealed By X-Ray Crystallography. J.Mol.Biol. V. 318 1057 2002.
ISSN: ISSN 0022-2836
PubMed: 12054802
DOI: 10.1016/S0022-2836(02)00215-2