Chlorine in PDB 2h6b: Crystal Structure of Oxidized Cprk in Complex with O- Chlorophenolacetic Acid

The structure of Crystal Structure of Oxidized Cprk in Complex with O- Chlorophenolacetic Acid, PDB code: 2h6b was solved by M.G.Joyce, C.Levy, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.437, 112.185, 119.495, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.9

The binding sites of Chlorine atom in the Crystal Structure of Oxidized Cprk in Complex with O- Chlorophenolacetic Acid (pdb code 2h6b). 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 Oxidized Cprk in Complex with O- Chlorophenolacetic Acid, PDB code: 2h6b:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Oxidized Cprk in Complex with O- Chlorophenolacetic Acid


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 Oxidized Cprk in Complex with O- Chlorophenolacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:34.2 occ:1.00 CL A:3C4302 0.0 34.2 1.0 CE1 A:3C4302 1.8 32.4 1.0 CD1 A:3C4302 2.7 35.0 1.0 CZ A:3C4302 2.8 30.1 1.0 OH A:3C4302 3.2 34.2 1.0 NZ A:LYS133 3.6 29.9 1.0 CE2 A:TYR130 3.6 34.2 1.0 CD A:LYS133 3.8 32.4 1.0 CA A:GLY85 3.8 34.5 1.0 O A:HOH305 3.8 30.2 1.0 N A:GLY85 3.8 34.0 1.0 CD1 B:LEU131 3.8 32.1 1.0 CG1 B:VAL134 3.9 32.8 1.0 C A:GLY85 3.9 34.8 1.0 O A:GLY85 4.0 35.0 1.0 CD2 A:TYR130 4.0 34.2 1.0 CA A:3C4302 4.0 34.2 1.0 CE2 A:3C4302 4.1 34.1 1.0 CB B:VAL134 4.2 31.9 1.0 CG2 B:VAL134 4.2 32.3 1.0 CE A:LYS133 4.2 32.2 1.0 CD2 A:3C4302 4.5 34.5 1.0 CZ A:TYR130 4.7 34.1 1.0 N A:LYS86 4.7 36.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Oxidized Cprk in Complex with O- Chlorophenolacetic Acid


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 Oxidized Cprk in Complex with O- Chlorophenolacetic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:33.8 occ:1.00 CL B:3C4301 0.0 33.8 1.0 CE1 B:3C4301 1.8 35.9 1.0 CD1 B:3C4301 2.7 33.5 1.0 CZ B:3C4301 2.8 35.7 1.0 OH B:3C4301 3.2 36.1 1.0 NZ B:LYS133 3.4 30.5 1.0 CA B:GLY85 3.6 31.7 1.0 CE2 B:TYR130 3.7 29.8 1.0 N B:GLY85 3.8 32.9 1.0 O B:HOH302 3.8 26.9 1.0 CD B:LYS133 3.9 31.1 1.0 CD1 A:LEU131 3.9 32.9 1.0 C B:GLY85 3.9 32.1 1.0 O B:GLY85 4.0 33.6 1.0 CG1 A:VAL134 4.0 34.4 1.0 CA B:3C4301 4.0 34.8 1.0 CD2 B:TYR130 4.1 31.6 1.0 CE2 B:3C4301 4.1 35.1 1.0 CB A:VAL134 4.3 34.2 1.0 CE B:LYS133 4.3 29.3 1.0 CG2 A:VAL134 4.3 36.4 1.0 CD2 B:3C4301 4.5 35.1 1.0 N B:LYS86 4.7 34.2 1.0 CZ B:TYR130 4.8 31.7 1.0

M.G.Joyce, C.Levy, S.M.Pop, B.D.Biehl, T.I.Doukov, J.M.Ryter, H.Mazon, H.Smidt, R.H.Van Den Heuvel, S.W.Ragsdale, J.Van Der Oost, D.Leys. Cprk Crystal Structures Reveal Mechanism For Transcriptional Control of Halorespiration. J.Biol.Chem. V. 281 28318 2006.
ISSN: ISSN 0021-9258
PubMed: 16803881
DOI: 10.1074/JBC.M602654200