Chlorine in PDB 3dhh: Crystal Structure of Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein

The structure of Crystal Structure of Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein, PDB code: 3dhh was solved by L.J.Bailey, J.G.Mccoy, G.N.Phillips Jr., B.G.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.29 / 1.94
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	100.418, 115.613, 182.403, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 20.2

The structure of Crystal Structure of Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein also contains other interesting chemical elements:

Bromine	(Br)	5 atoms
Iron	(Fe)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein (pdb code 3dhh). 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 Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein, PDB code: 3dhh:

Chlorine binding site 1 out of 1 in the Crystal Structure of Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein


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 Resting State Toluene 4-Monoxygenase Hydroxylase Complexed with Effector Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:26.1 occ:0.50 O A:HOH866 3.7 25.9 1.0 O A:HOH892 3.8 39.1 1.0 CH2 A:TRP315 3.9 27.3 1.0 OE2 A:GLU431 4.0 36.7 1.0 CZ3 A:TRP315 4.2 28.6 1.0 CZ2 A:TRP315 4.5 28.4 1.0 CD1 A:TRP435 4.5 23.0 1.0 CB A:TRP435 4.5 19.6 1.0 O A:GLU431 4.7 18.8 1.0 CG A:TRP435 4.8 21.0 1.0 CD A:GLU431 4.9 34.1 1.0 CB A:GLU431 4.9 22.2 1.0

L.J.Bailey, J.G.Mccoy, G.N.Phillips Jr., B.G.Fox. Structural Consequences of Effector Protein Complex Formation in A Diiron Hydroxylase. Proc.Natl.Acad.Sci.Usa V. 105 19194 2008.
ISSN: ISSN 0027-8424
PubMed: 19033467
DOI: 10.1073/PNAS.0807948105