Chlorine in PDB 3k84: Crystal Structure Analysis of A Oleyl/Oxadiazole/Pyridine Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase

The structure of Crystal Structure Analysis of A Oleyl/Oxadiazole/Pyridine Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase, PDB code: 3k84 was solved by M.Mileni, R.C.Stevens, D.L.Boger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.33 / 2.25
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.050, 104.050, 255.320, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 21.1

The binding sites of Chlorine atom in the Crystal Structure Analysis of A Oleyl/Oxadiazole/Pyridine Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase (pdb code 3k84). 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 Analysis of A Oleyl/Oxadiazole/Pyridine Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase, PDB code: 3k84:

Chlorine binding site 1 out of 1 in the Crystal Structure Analysis of A Oleyl/Oxadiazole/Pyridine Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of A Oleyl/Oxadiazole/Pyridine Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl580 b:27.9 occ:1.00 O B:HOH895 3.1 28.9 1.0 O A:HOH768 3.1 24.3 1.0 ND2 B:ASN259 3.3 18.8 1.0 ND2 A:ASN259 3.6 26.8 1.0 CZ2 A:TRP556 3.8 22.9 1.0 CH2 A:TRP556 4.0 23.1 1.0 CZ2 B:TRP556 4.0 19.1 1.0 CH2 B:TRP556 4.2 27.2 1.0 CB B:ASN259 4.2 20.2 1.0 CG B:ASN259 4.2 26.7 1.0 CB A:ASN259 4.4 25.6 1.0 CG A:ASN259 4.5 29.5 1.0 CD B:PRO310 4.8 28.5 1.0 CG A:PRO310 4.8 23.2 1.0 CG B:PRO310 4.8 27.1 1.0 CD A:PRO310 4.9 22.6 1.0 O B:HOH760 5.0 27.1 1.0

M.Mileni, J.Garfunkle, C.Ezzili, F.S.Kimball, B.F.Cravatt, R.C.Stevens, D.L.Boger. X-Ray Crystallographic Analysis of Alpha-Ketoheterocycle Inhibitors Bound to A Humanized Variant of Fatty Acid Amide Hydrolase. J.Med.Chem. V. 53 230 2010.
ISSN: ISSN 0022-2623
PubMed: 19924997
DOI: 10.1021/JM9012196