Chlorine in PDB 3lj6: 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 at 2.42A Resolution

The structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 at 2.42A Resolution, PDB code: 3lj6 was solved by M.Mileni, R.C.Stevens, S.Kamtekar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.62 / 2.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.590, 105.320, 221.560, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20

The structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 at 2.42A Resolution also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 at 2.42A Resolution (pdb code 3lj6). 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 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 at 2.42A Resolution, PDB code: 3lj6:

Chlorine binding site 1 out of 1 in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 at 2.42A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 at 2.42A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl580 b:14.6 occ:1.00 O A:HOH809 3.3 23.6 1.0 O A:HOH808 3.4 35.9 1.0 ND2 B:ASN259 3.7 17.4 1.0 ND2 A:ASN259 3.7 33.5 1.0 CZ2 B:TRP556 3.9 22.7 1.0 CZ2 A:TRP556 3.9 20.1 1.0 CH2 A:TRP556 4.0 22.5 1.0 CH2 B:TRP556 4.0 18.9 1.0 CB B:ASN259 4.3 11.6 1.0 CB A:ASN259 4.4 18.3 1.0 CG B:ASN259 4.5 24.1 1.0 CG A:ASN259 4.6 28.8 1.0 CD B:PRO310 4.6 17.4 1.0 CG B:PRO310 4.7 19.4 1.0 CD A:PRO310 4.8 17.5 1.0 CG A:PRO310 4.9 15.7 1.0

M.Mileni, S.Kamtekar, D.C.Wood, T.E.Benson, B.F.Cravatt, R.C.Stevens. Crystal Structure of Fatty Acid Amide Hydrolase Bound to the Carbamate Inhibitor URB597: Discovery of A Deacylating Water Molecule and Insight Into Enzyme Inactivation J.Mol.Biol. V. 400 743 2010.
ISSN: ISSN 0022-2836
PubMed: 20493882
DOI: 10.1016/J.JMB.2010.05.034