Chlorine in PDB 3lj7: 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with Carbamate Inhibitor URB597

The structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with Carbamate Inhibitor URB597, PDB code: 3lj7 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)	29.80 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	102.733, 105.075, 147.802, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.4

The binding sites of Chlorine atom in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with Carbamate Inhibitor URB597 (pdb code 3lj7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with Carbamate Inhibitor URB597, PDB code: 3lj7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with Carbamate Inhibitor URB597


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 Carbamate Inhibitor URB597 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl580 b:42.3 occ:1.00 O B:HOH777 3.1 55.0 1.0 O A:HOH714 3.2 50.6 1.0 ND2 A:ASN259 3.5 40.7 1.0 ND2 B:ASN259 3.6 47.4 1.0 CZ2 B:TRP556 3.8 30.3 1.0 CZ2 A:TRP556 3.9 26.5 1.0 CH2 B:TRP556 4.0 28.1 1.0 CH2 A:TRP556 4.1 33.4 1.0 CB B:ASN259 4.3 33.6 1.0 CB A:ASN259 4.3 36.7 1.0 CG A:ASN259 4.4 45.9 1.0 CG B:ASN259 4.5 44.3 1.0 CG A:PRO310 4.6 37.2 1.0 CD A:PRO310 4.7 32.5 1.0 CD B:PRO310 4.8 36.6 1.0 CG B:PRO310 4.8 35.0 1.0 O A:HOH620 4.9 44.1 1.0

Chlorine binding site 2 out of 2 in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with Carbamate Inhibitor URB597


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with Carbamate Inhibitor URB597 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:60.6 occ:1.00 N A:GLN35 3.3 47.1 1.0 O A:HOH721 3.4 48.8 1.0 CB A:GLN35 3.5 43.8 1.0 N A:ARG34 3.6 74.7 1.0 C A:GLY33 3.7 74.7 1.0 CA A:GLY33 3.8 67.7 1.0 CA A:GLN35 4.0 41.3 1.0 C A:ARG34 4.4 56.4 1.0 O A:GLY33 4.4 69.3 1.0 CA A:ARG34 4.5 68.2 1.0 CG A:GLN35 4.8 53.9 1.0 N A:GLY33 4.8 60.6 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