Chlorine in PDB 5gzx: The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa

All present enzymatic activity of The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa:
3.8.1.9;

The structure of The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa, PDB code: 5gzx was solved by Y.Wang, S.Xue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.32 / 2.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.300, 95.687, 108.813, 90.00, 108.03, 90.00
R / Rfree (%)	20.1 / 25.6

The binding sites of Chlorine atom in the The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa (pdb code 5gzx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa, PDB code: 5gzx:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:48.5 occ:1.00 CL1 A:RCI401 0.0 48.5 1.0 C4 A:RCI401 1.8 46.5 1.0 C6 A:RCI401 2.7 42.1 1.0 C5 A:RCI401 2.8 36.7 1.0 N A:ILE52 3.2 39.5 1.0 O2 A:RCI401 3.3 40.5 1.0 N A:VAL51 3.4 39.3 1.0 O3 A:RCI401 3.5 43.1 1.0 CG2 A:ILE52 3.6 36.1 1.0 ND2 A:ASN203 3.6 38.0 1.0 CE A:MET284 3.7 37.3 1.0 CB A:VAL51 3.8 40.0 1.0 CB A:ILE52 3.8 35.5 1.0 CD2 A:LEU285 3.9 35.4 1.0 CA A:VAL51 3.9 40.2 1.0 C A:VAL51 4.0 39.7 1.0 CA A:ILE52 4.0 41.7 1.0 C A:GLY50 4.2 40.4 1.0 CD1 A:PHE281 4.2 39.3 1.0 CE1 A:PHE281 4.3 38.6 1.0 CA A:GLY50 4.5 38.5 1.0 CG2 A:VAL51 4.5 39.7 1.0 CG A:LEU285 4.7 41.5 1.0 SD A:MET284 4.8 44.2 1.0 CD2 A:LEU288 4.8 38.7 1.0 CD1 A:LEU285 4.9 36.6 1.0 CG A:ASN203 4.9 42.9 1.0 CG1 A:VAL51 4.9 37.5 1.0

Chlorine binding site 2 out of 4 in the The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:44.4 occ:1.00 CL1 B:RCI401 0.0 44.4 1.0 C4 B:RCI401 1.8 37.3 1.0 C5 B:RCI401 2.7 34.8 1.0 C6 B:RCI401 2.8 37.0 1.0 N B:ILE52 3.2 30.9 1.0 O2 B:RCI401 3.3 35.1 1.0 CG2 B:ILE52 3.4 31.0 1.0 N B:VAL51 3.6 30.3 1.0 CB B:ILE52 3.7 31.9 1.0 CE B:MET284 3.7 31.8 1.0 O3 B:RCI401 3.7 39.7 1.0 ND2 B:ASN203 3.9 34.2 1.0 CB B:VAL51 4.0 27.4 1.0 CD2 B:LEU285 4.0 26.9 1.0 CA B:ILE52 4.0 33.6 1.0 CA B:VAL51 4.1 28.3 1.0 C B:VAL51 4.1 36.6 1.0 C B:GLY50 4.3 30.3 1.0 CD1 B:PHE281 4.4 32.9 1.0 CA B:GLY50 4.4 25.2 1.0 CE1 B:PHE281 4.6 35.2 1.0 CG2 B:VAL51 4.7 35.6 1.0 CG B:LEU285 4.7 36.3 1.0 SD B:MET284 4.8 37.2 1.0 CD2 B:LEU288 5.0 34.1 1.0

Chlorine binding site 3 out of 4 in the The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:56.0 occ:1.00 CL1 C:RCI401 0.0 56.0 1.0 C4 C:RCI401 1.8 50.7 1.0 C5 C:RCI401 2.7 41.5 1.0 C6 C:RCI401 2.8 41.4 1.0 N C:ILE52 2.9 41.1 1.0 N C:VAL51 3.3 38.4 1.0 O2 C:RCI401 3.3 38.4 1.0 CG2 C:ILE52 3.3 35.3 1.0 CB C:ILE52 3.6 44.4 1.0 C C:VAL51 3.7 44.3 1.0 CA C:ILE52 3.8 40.0 1.0 O3 C:RCI401 3.8 43.7 1.0 CA C:VAL51 3.8 41.0 1.0 CB C:VAL51 3.9 43.5 1.0 C C:GLY50 3.9 38.2 1.0 CD2 C:LEU285 4.0 39.8 1.0 ND2 C:ASN203 4.1 39.2 1.0 CE C:MET284 4.2 41.8 1.0 CA C:GLY50 4.2 36.0 1.0 CD1 C:PHE281 4.5 45.2 1.0 CG2 C:VAL51 4.6 43.3 1.0 CE1 C:PHE281 4.7 44.8 1.0 CG C:LEU285 4.7 45.1 1.0 CD1 C:LEU285 4.8 39.5 1.0 O C:GLY50 4.8 38.5 1.0 O C:VAL51 4.9 39.2 1.0

Chlorine binding site 4 out of 4 in the The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:42.5 occ:1.00 CL1 D:RCI401 0.0 42.5 1.0 C4 D:RCI401 1.8 44.5 1.0 C6 D:RCI401 2.7 37.9 1.0 C5 D:RCI401 2.8 37.1 1.0 N D:ILE52 3.3 34.0 1.0 O3 D:RCI401 3.3 34.6 1.0 CG2 D:ILE52 3.5 34.8 1.0 O2 D:RCI401 3.5 36.2 1.0 N D:VAL51 3.6 35.9 1.0 CB D:ILE52 3.7 35.2 1.0 CE D:MET284 3.7 34.5 1.0 ND2 D:ASN203 3.8 33.9 1.0 CB D:VAL51 4.0 35.8 1.0 CD2 D:LEU285 4.0 34.3 1.0 CA D:ILE52 4.0 33.0 1.0 CA D:VAL51 4.1 34.4 1.0 C D:VAL51 4.2 37.7 1.0 CD1 D:PHE281 4.2 32.2 1.0 CE1 D:PHE281 4.3 38.4 1.0 C D:GLY50 4.4 39.0 1.0 CG2 D:VAL51 4.5 31.1 1.0 CA D:GLY50 4.6 33.6 1.0 SD D:MET284 4.7 37.2 1.0 CG D:LEU285 4.7 37.1 1.0

Y.Wang, S.Xue. The Complex Structure of D-2-Haloacid Dehalogenase Mutant with D-2-Cpa To Be Published.