Chlorine in PDB 5ksw: Dhodb-I74D Mutant

All present enzymatic activity of Dhodb-I74D Mutant:
1.3.1.14;

The structure of Dhodb-I74D Mutant, PDB code: 5ksw was solved by Y.A.Pompeu, J.D.Stewart, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.92 / 2.47
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	79.990, 151.720, 214.310, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 24.4

The structure of Dhodb-I74D Mutant also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Dhodb-I74D Mutant (pdb code 5ksw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dhodb-I74D Mutant, PDB code: 5ksw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dhodb-I74D Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dhodb-I74D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:65.7 occ:1.00 O A:HOH534 3.0 52.9 1.0 N A:HIS53 3.3 38.7 1.0 CB A:THR51 3.4 54.0 1.0 N A:LEU52 3.6 40.0 1.0 OG1 A:THR51 3.7 33.2 1.0 O A:HIS53 3.8 48.5 1.0 CB A:HIS53 3.9 38.7 1.0 ND1 A:HIS53 3.9 48.6 1.0 CA A:HIS53 4.0 36.4 1.0 O A:HOH564 4.1 35.9 1.0 C A:THR51 4.2 41.5 1.0 C A:HIS53 4.3 39.7 1.0 C A:LEU52 4.3 44.9 1.0 CA A:LEU52 4.3 47.3 1.0 CB A:LEU52 4.3 43.8 1.0 CG2 A:THR51 4.3 29.8 1.0 CG A:HIS53 4.3 56.3 1.0 CA A:THR51 4.4 30.1 1.0 OD2 A:ASP112 4.4 68.7 1.0 CD A:ARG55 4.5 56.8 1.0 CG A:ARG55 4.6 48.5 1.0

Chlorine binding site 2 out of 2 in the Dhodb-I74D Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dhodb-I74D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:85.7 occ:1.00 O B:VAL63 3.4 67.6 1.0 NZ B:LYS26 3.8 59.4 1.0 O B:ALA64 3.8 69.4 1.0 CG B:LYS65 4.0 57.8 1.0 NZ B:LYS65 4.2 82.6 1.0 C B:ALA64 4.2 55.3 1.0 CE B:LYS26 4.4 53.1 1.0 CA B:ALA64 4.5 58.8 1.0 CB B:LYS65 4.5 65.2 1.0 C B:VAL63 4.6 62.0 1.0 CE B:LYS65 4.6 66.3 1.0 N B:LYS65 4.8 49.6 1.0 CD B:LYS65 4.9 78.0 1.0

Y.A.Pompeu, J.D.Stewart. Isoleucine 74 Plays A Key Role in Controlling Electron Transfer Between Lactococcus Lactis Dihydroorotate Dehydrogenase 1B Subunits To Be Published.