Chlorine in PDB 3ge3: Crystal Structure of the Reduced Toluene 4-Monooxygenase Hd T201A Mutant Complex

The structure of Crystal Structure of the Reduced Toluene 4-Monooxygenase Hd T201A Mutant Complex, PDB code: 3ge3 was solved by N.L.Elsen, L.J.Bailey, B.G.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.60 / 1.52
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.260, 115.966, 180.137, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 19.3

The structure of Crystal Structure of the Reduced Toluene 4-Monooxygenase Hd T201A Mutant Complex also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Reduced Toluene 4-Monooxygenase Hd T201A Mutant Complex (pdb code 3ge3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Reduced Toluene 4-Monooxygenase Hd T201A Mutant Complex, PDB code: 3ge3:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Reduced Toluene 4-Monooxygenase Hd T201A Mutant Complex


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 the Reduced Toluene 4-Monooxygenase Hd T201A Mutant Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:31.9 occ:1.00 NE A:ARG339 3.1 14.4 1.0 O A:HOH833 3.3 30.4 1.0 N A:ASP482 3.4 12.9 1.0 CB A:LYS481 3.6 14.5 0.5 CA A:LYS481 3.6 13.8 0.5 NH1 A:ARG339 3.6 15.9 1.0 CA A:LYS481 3.7 13.0 0.5 CE1 A:PHE486 3.7 21.3 1.0 CB A:LYS481 3.8 13.5 0.5 CZ A:ARG339 3.8 13.1 1.0 C A:LYS481 4.0 13.5 0.5 C A:LYS481 4.0 13.1 0.5 CZ A:PHE486 4.1 17.0 1.0 CD A:ARG339 4.2 13.4 1.0 CG A:LYS481 4.3 16.2 0.5 CB A:ASP482 4.4 13.5 1.0 CA A:ASP482 4.4 13.4 1.0 CG A:ARG339 4.7 10.7 1.0 CD1 A:PHE486 4.8 18.6 1.0 O A:HOH794 4.9 20.5 1.0 O A:GLY480 5.0 14.1 1.0 N A:LYS481 5.0 13.8 0.5 N A:LYS481 5.0 13.4 0.5

N.L.Elsen, L.J.Bailey, A.D.Hauser, B.G.Fox. Role For Threonine 201 in the Catalytic Cycle of the Soluble Diiron Hydroxylase Toluene 4-Monooxygenase. Biochemistry V. 48 3838 2009.
ISSN: ISSN 0006-2960
PubMed: 19290655
DOI: 10.1021/BI900144A