Chlorine in PDB 3k7f: Crystal Structure Analysis of A Phenhexyl/Oxazole/Carboxypyridine Alpha-Ketoheterocycle Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase'

The structure of Crystal Structure Analysis of A Phenhexyl/Oxazole/Carboxypyridine Alpha-Ketoheterocycle Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase', PDB code: 3k7f 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)	38.48 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.870, 103.870, 255.410, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 18.8

The structure of Crystal Structure Analysis of A Phenhexyl/Oxazole/Carboxypyridine Alpha-Ketoheterocycle Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase' also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure Analysis of A Phenhexyl/Oxazole/Carboxypyridine Alpha-Ketoheterocycle Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase' (pdb code 3k7f). 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 Phenhexyl/Oxazole/Carboxypyridine Alpha-Ketoheterocycle Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase', PDB code: 3k7f:

Chlorine binding site 1 out of 1 in the Crystal Structure Analysis of A Phenhexyl/Oxazole/Carboxypyridine Alpha-Ketoheterocycle 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 Phenhexyl/Oxazole/Carboxypyridine Alpha-Ketoheterocycle Inhibitor Bound to A Humanized Variant of Fatty Acid Amide Hydrolase' within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl580 b:28.7 occ:1.00 O A:HOH649 3.1 28.8 1.0 O B:HOH607 3.2 30.9 1.0 ND2 A:ASN259 3.5 19.2 1.0 ND2 B:ASN259 3.6 27.4 1.0 CZ2 B:TRP556 3.8 16.7 1.0 CZ2 A:TRP556 3.8 20.5 1.0 CH2 B:TRP556 4.0 21.7 1.0 CH2 A:TRP556 4.0 20.3 1.0 CB A:ASN259 4.3 13.6 1.0 CG A:ASN259 4.4 18.2 1.0 CB B:ASN259 4.5 16.3 1.0 CG B:ASN259 4.5 25.7 1.0 CD A:PRO310 4.7 13.6 1.0 CG B:PRO310 4.7 16.7 1.0 CG A:PRO310 4.8 17.2 1.0 CD B:PRO310 4.9 15.2 1.0 O B:HOH667 5.0 33.5 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