Chlorine in PDB 6ds7: Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site

All present enzymatic activity of Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site:
1.14.14.18;

The structure of Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site, PDB code: 6ds7 was solved by A.Chao, C.W.Goulding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.33 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.210, 68.571, 74.090, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 22.7

The structure of Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site (pdb code 6ds7). 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 Mhud R26S Mutant with Two Hemes Bound Per Active Site, PDB code: 6ds7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site


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 Mhud R26S Mutant with Two Hemes Bound Per Active Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:23.6 occ:1.00 FE A:HEM202 2.4 18.8 1.0 ND2 A:ASN7 3.1 20.5 1.0 ND A:HEM202 3.3 19.2 1.0 NC A:HEM202 3.3 18.7 1.0 NB A:HEM202 3.4 20.3 1.0 NA A:HEM202 3.4 19.6 1.0 CG2 A:VAL53 3.5 19.6 1.0 CZ A:PHE23 3.8 16.4 1.0 CB A:ASN7 3.8 17.8 1.0 C4D A:HEM202 3.9 18.6 1.0 C1D A:HEM202 3.9 16.1 1.0 C4B A:HEM202 3.9 23.9 1.0 CG1 A:ILE9 3.9 30.3 1.0 CG A:ASN7 3.9 23.1 1.0 C1C A:HEM202 4.0 22.9 1.0 CB A:VAL53 4.0 18.0 1.0 C1A A:HEM202 4.0 21.5 1.0 C4C A:HEM202 4.0 20.9 1.0 C1B A:HEM202 4.1 19.6 1.0 CHC A:HEM202 4.1 23.3 1.0 CD1 A:ILE9 4.2 37.5 1.0 C4A A:HEM202 4.2 21.0 1.0 CHA A:HEM202 4.2 15.7 1.0 CG1 A:VAL53 4.3 18.3 1.0 CHD A:HEM202 4.4 9.6 1.0 CE2 A:PHE23 4.4 20.2 1.0 CHB A:HEM202 4.5 19.8 1.0 C3D A:HEM202 4.8 17.1 1.0 CE1 A:PHE23 4.8 18.9 1.0 C2D A:HEM202 4.8 15.2 1.0 C3B A:HEM202 4.9 24.3 1.0 C2B A:HEM202 5.0 22.4 1.0 O A:ASN7 5.0 17.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site


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 Mhud R26S Mutant with Two Hemes Bound Per Active Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:19.6 occ:1.00 FE B:HEM202 2.3 18.0 1.0 ND2 B:ASN7 3.1 22.3 1.0 NC B:HEM202 3.2 13.6 1.0 NB B:HEM202 3.3 16.7 1.0 ND B:HEM202 3.3 18.9 1.0 NA B:HEM202 3.3 18.9 1.0 CG2 B:VAL53 3.5 16.1 1.0 CZ B:PHE23 3.6 18.5 1.0 CD1 B:ILE9 3.8 33.7 1.0 CG2 B:ILE9 3.9 33.0 1.0 CB B:ASN7 3.9 17.8 1.0 C4B B:HEM202 3.9 15.9 1.0 C4D B:HEM202 3.9 25.4 1.0 C1C B:HEM202 3.9 16.2 1.0 CG B:ASN7 4.0 23.1 1.0 C1D B:HEM202 4.0 17.7 1.0 CB B:VAL53 4.0 17.6 1.0 C4C B:HEM202 4.0 14.3 1.0 C1A B:HEM202 4.1 23.9 1.0 C1B B:HEM202 4.1 20.2 1.0 CHC B:HEM202 4.1 19.0 1.0 C4A B:HEM202 4.2 20.9 1.0 CG1 B:VAL53 4.2 16.2 1.0 CHA B:HEM202 4.3 24.6 1.0 CHD B:HEM202 4.4 13.0 1.0 CE2 B:PHE23 4.5 19.0 1.0 CHB B:HEM202 4.5 16.4 1.0 CE1 B:PHE23 4.5 20.4 1.0 CG1 B:ILE9 4.5 35.7 1.0 C3D B:HEM202 4.8 24.8 1.0 CB B:ILE9 4.9 35.2 1.0 C2D B:HEM202 4.9 20.2 1.0 C3B B:HEM202 5.0 17.9 1.0 C2C B:HEM202 5.0 13.5 1.0

A.Chao, C.W.Goulding. Crystal Structure of Mhud R26S Mutant with Two Hemes Bound Per Active Site To Be Published.