Chlorine in PDB 3p3x: Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Nterm- Aurh-I) From Streptomyces Thioluteus

The structure of Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Nterm- Aurh-I) From Streptomyces Thioluteus, PDB code: 3p3x was solved by G.Zocher, M.E.A.Richter, U.Mueller, C.Hertweck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	129.330, 131.780, 53.230, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 28

The structure of Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Nterm- Aurh-I) From Streptomyces Thioluteus also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Nterm- Aurh-I) From Streptomyces Thioluteus (pdb code 3p3x). 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 the Cytochrome P450 Monooxygenase Aurh (Nterm- Aurh-I) From Streptomyces Thioluteus, PDB code: 3p3x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Nterm- Aurh-I) From Streptomyces Thioluteus


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 Cytochrome P450 Monooxygenase Aurh (Nterm- Aurh-I) From Streptomyces Thioluteus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl409 b:67.9 occ:1.00 NH2 A:ARG99 3.5 29.8 1.0 NH1 A:ARG99 4.1 28.3 1.0 CA A:GLY95 4.2 26.9 1.0 CZ A:ARG99 4.3 28.8 1.0 N A:ALA96 4.6 26.9 1.0 C A:GLY95 4.8 26.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Cytochrome P450 Monooxygenase Aurh (Nterm- Aurh-I) From Streptomyces Thioluteus


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 the Cytochrome P450 Monooxygenase Aurh (Nterm- Aurh-I) From Streptomyces Thioluteus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl409 b:49.1 occ:1.00 NH1 B:ARG207 3.6 42.6 1.0 NH2 B:ARG207 3.7 41.7 1.0 CZ B:ARG207 4.1 41.8 1.0 O B:HOH473 4.2 24.2 1.0

G.Zocher, M.E.Richter, U.Mueller, C.Hertweck. Structural Fine-Tuning of A Multifunctional Cytochrome P450 Monooxygenase. J.Am.Chem.Soc. V. 133 2292 2011.
ISSN: ISSN 0002-7863
PubMed: 21280577
DOI: 10.1021/JA110146Z