Chlorine in PDB 1knq: 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: 1knq 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)	59.80 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.951, 79.294, 89.703, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.7

The binding sites of Chlorine atom in the Crystal Structure of Gluconate Kinase (pdb code 1knq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Gluconate Kinase, PDB code: 1knq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 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:Cl200 b:18.9 occ:1.00 O A:HOH434 3.0 29.6 1.0 N A:GLY18 3.0 17.4 1.0 NZ A:LYS21 3.2 9.8 1.0 N A:LYS21 3.4 14.0 1.0 N A:GLY20 3.5 15.6 1.0 N A:SER19 3.6 15.7 1.0 O A:HOH432 3.7 23.1 1.0 O A:VAL16 3.8 15.8 1.0 CA A:SER17 3.9 17.9 1.0 CA A:GLY18 3.9 16.4 1.0 C A:SER17 3.9 17.8 1.0 CE A:LYS21 3.9 11.8 1.0 OG A:SER19 3.9 14.7 1.0 CB A:LYS21 4.0 13.1 1.0 CG A:LYS21 4.0 12.6 1.0 C A:GLY18 4.1 16.3 1.0 CA A:GLY20 4.1 15.3 1.0 C A:GLY20 4.2 14.9 1.0 CA A:LYS21 4.3 13.9 1.0 C A:SER19 4.3 15.9 1.0 CA A:SER19 4.4 15.7 1.0 O A:HOH232 4.6 17.4 1.0 CD A:LYS21 4.6 12.8 1.0 C A:VAL16 4.6 16.4 1.0 N A:SER17 4.7 16.7 1.0 O A:HOH418 4.7 10.3 1.0 CB A:SER19 4.8 16.2 1.0 N A:SER22 4.9 13.4 1.0 OG A:SER17 5.0 20.4 1.0 CB A:SER17 5.0 18.3 1.0

Chlorine binding site 2 out of 3 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 A:Cl417 b:24.5 occ:1.00 O A:HOH484 2.8 35.5 1.0 O A:HOH450 3.0 22.2 1.0 NE2 A:HIS127 3.1 26.5 1.0 N A:LYS130 3.2 22.9 1.0 CD1 A:LEU121 3.8 28.1 1.0 O A:PHE128 3.8 21.5 1.0 CB A:LYS130 3.8 24.1 1.0 CE1 A:HIS127 3.9 26.2 1.0 CG A:LYS130 3.9 27.5 1.0 CA A:PHE129 4.0 22.1 1.0 CD1 A:PHE129 4.1 21.9 1.0 CA A:LYS130 4.1 24.0 1.0 C A:PHE129 4.1 22.6 1.0 CD2 A:HIS127 4.2 25.9 1.0 CD2 A:LEU121 4.5 28.8 1.0 O A:LYS130 4.6 23.6 1.0 CE1 A:PHE129 4.6 20.3 1.0 CG A:LEU121 4.7 29.2 1.0 C A:LYS130 4.7 24.0 1.0 C A:PHE128 4.8 21.6 1.0 CG A:PHE129 4.8 21.6 1.0 O A:HOH217 4.9 19.2 1.0 N A:PHE129 4.9 21.6 1.0 CB A:PHE129 4.9 21.8 1.0 CD A:LYS130 5.0 32.0 1.0 SD A:MET133 5.0 33.3 1.0

Chlorine binding site 3 out of 3 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 3 of Crystal Structure of Gluconate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:19.9 occ:1.00 O B:HOH287 3.0 26.0 1.0 NZ B:LYS21 3.1 16.3 1.0 N B:GLY18 3.2 22.8 1.0 N B:LYS21 3.4 17.9 1.0 N B:GLY20 3.5 21.6 1.0 N B:SER19 3.7 23.9 1.0 O B:VAL16 3.7 17.9 1.0 CE B:LYS21 3.8 14.8 1.0 CG B:LYS21 3.8 15.0 1.0 CB B:LYS21 3.9 16.2 1.0 CA B:SER17 3.9 20.9 1.0 OG B:SER19 3.9 24.1 1.0 C B:SER17 4.0 21.8 1.0 CA B:GLY18 4.1 23.8 1.0 CA B:GLY20 4.2 19.9 1.0 C B:GLY18 4.2 24.4 1.0 CA B:LYS21 4.2 16.8 1.0 C B:GLY20 4.2 19.6 1.0 C B:SER19 4.3 22.3 1.0 O B:HOH233 4.3 18.4 1.0 CA B:SER19 4.4 23.2 1.0 CD B:LYS21 4.4 16.0 1.0 C B:VAL16 4.6 17.9 1.0 O B:HOH208 4.6 9.8 1.0 N B:SER17 4.7 19.7 1.0 N B:SER22 4.7 16.3 1.0 CB B:SER19 4.8 23.5 1.0 CB B:SER17 4.9 21.5 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