Iron 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:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Dhodb-I74D Mutant (pdb code 5ksw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Dhodb-I74D Mutant, PDB code: 5ksw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Dhodb-I74D Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Dhodb-I74D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:38.7 occ:1.00 FE1 B:FES302 0.0 38.7 1.0 S1 B:FES302 2.2 41.1 1.0 S2 B:FES302 2.2 40.3 1.0 SG B:CYS231 2.4 39.1 1.0 SG B:CYS226 2.5 44.9 1.0 FE2 B:FES302 3.0 39.5 1.0 N B:CYS231 3.4 42.4 1.0 CB B:CYS231 3.4 38.3 1.0 N B:CYS226 3.5 31.8 1.0 CB B:CYS226 3.6 34.9 1.0 N B:GLY227 3.7 37.6 1.0 CA B:CYS231 3.8 41.3 1.0 N B:TYR232 3.8 39.5 1.0 CA B:CYS226 4.0 36.7 1.0 N B:ALA233 4.1 37.0 1.0 C B:CYS231 4.1 35.7 1.0 N B:GLY229 4.2 47.0 1.0 N B:ALA230 4.2 47.4 1.0 C B:CYS226 4.3 40.9 1.0 SG B:CYS249 4.5 44.2 1.0 CB B:ALA233 4.5 26.6 1.0 N B:ALA225 4.5 36.2 1.0 N B:ILE228 4.5 34.4 1.0 CA B:GLY229 4.6 31.9 1.0 C B:ALA225 4.6 41.0 1.0 C B:ALA230 4.6 37.4 1.0 C B:GLY229 4.6 45.6 1.0 CA B:GLY227 4.7 28.2 1.0 CA B:TYR232 4.8 32.7 1.0 CA B:ALA225 4.9 35.5 1.0 CB B:ALA225 4.9 35.0 1.0 CA B:ALA233 4.9 42.2 1.0 CA B:ALA230 4.9 39.4 1.0 C B:TYR232 4.9 46.2 1.0

Iron binding site 2 out of 4 in the Dhodb-I74D Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Dhodb-I74D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:39.5 occ:1.00 FE2 B:FES302 0.0 39.5 1.0 S2 B:FES302 2.2 40.3 1.0 S1 B:FES302 2.2 41.1 1.0 SG B:CYS234 2.3 44.1 1.0 SG B:CYS249 2.5 44.2 1.0 FE1 B:FES302 3.0 38.7 1.0 CB B:CYS249 3.2 42.4 1.0 CB B:CYS234 3.6 41.1 1.0 N B:CYS249 4.1 38.9 1.0 N B:CYS234 4.1 35.7 1.0 N B:GLY229 4.2 47.0 1.0 CA B:CYS249 4.3 34.0 1.0 CA B:GLY229 4.4 31.9 1.0 CA B:CYS234 4.5 34.7 1.0 CB B:LYS247 4.6 39.6 1.0 N B:ALA233 4.7 37.0 1.0 N B:GLY227 4.7 37.6 1.0 SG B:CYS226 4.7 44.9 1.0 CA B:GLY227 4.8 28.2 1.0 N B:ILE228 4.9 34.4 1.0 CG B:MET224 4.9 32.5 1.0 SG B:CYS231 5.0 39.1 1.0

Iron binding site 3 out of 4 in the Dhodb-I74D Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Dhodb-I74D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe302 b:34.3 occ:1.00 FE1 D:FES302 0.0 34.3 1.0 S1 D:FES302 2.2 37.0 1.0 S2 D:FES302 2.2 37.1 1.0 SG D:CYS231 2.5 29.6 1.0 SG D:CYS226 2.5 29.6 1.0 FE2 D:FES302 2.7 32.9 1.0 N D:CYS226 3.5 29.6 1.0 CB D:CYS231 3.5 29.6 1.0 CB D:CYS226 3.6 29.6 1.0 N D:GLY227 3.6 30.6 1.0 N D:CYS231 3.6 29.6 1.0 N D:TYR232 3.9 37.5 1.0 CA D:CYS226 3.9 29.6 1.0 CA D:CYS231 3.9 29.6 1.0 N D:ALA233 4.1 38.2 1.0 C D:CYS226 4.2 29.6 1.0 C D:CYS231 4.2 29.6 1.0 N D:GLY229 4.3 42.1 1.0 N D:ALA225 4.4 33.2 1.0 CB D:ALA233 4.4 36.3 1.0 SG D:CYS249 4.4 37.9 1.0 N D:ALA230 4.4 34.5 1.0 C D:ALA225 4.5 29.6 1.0 N D:ILE228 4.6 33.5 1.0 CA D:GLY227 4.6 28.2 1.0 CA D:GLY229 4.7 29.6 1.0 C D:ALA230 4.8 45.4 1.0 C D:GLY229 4.8 37.0 1.0 CA D:ALA225 4.8 24.0 1.0 CA D:TYR232 4.9 39.7 1.0 CA D:ALA233 4.9 38.1 1.0 SG D:CYS234 4.9 41.2 1.0 CB D:ALA225 5.0 35.7 1.0

Iron binding site 4 out of 4 in the Dhodb-I74D Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Dhodb-I74D Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe302 b:32.9 occ:1.00 FE2 D:FES302 0.0 32.9 1.0 S2 D:FES302 2.2 37.1 1.0 S1 D:FES302 2.2 37.0 1.0 SG D:CYS234 2.5 41.2 1.0 SG D:CYS249 2.5 37.9 1.0 FE1 D:FES302 2.7 34.3 1.0 CB D:CYS249 3.4 17.7 1.0 CB D:CYS234 3.8 45.5 1.0 N D:GLY229 4.1 42.1 1.0 N D:CYS249 4.2 48.9 1.0 N D:CYS234 4.2 34.6 1.0 CA D:GLY229 4.3 29.6 1.0 CB D:LYS247 4.4 29.6 1.0 CA D:CYS249 4.4 42.0 1.0 SG D:CYS226 4.5 29.6 1.0 N D:ALA233 4.6 38.2 1.0 CA D:CYS234 4.7 29.3 1.0 N D:GLY227 4.7 30.6 1.0 CG D:LYS247 4.8 42.6 1.0 N D:ILE228 4.8 33.5 1.0 SG D:CYS231 4.9 29.6 1.0 N D:TYR232 4.9 37.5 1.0 CA D:GLY227 4.9 28.2 1.0 CD D:LYS247 4.9 38.1 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.