Chlorine in PDB 4do3: Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug

All present enzymatic activity of Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug:
3.5.1.99;

The structure of Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug, PDB code: 4do3 was solved by G.Garau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.50 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	103.470, 104.370, 147.620, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.9

The binding sites of Chlorine atom in the Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug (pdb code 4do3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug, PDB code: 4do3:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl600 b:18.1 occ:1.00 O A:HOH824 3.1 27.4 1.0 O B:HOH883 3.2 32.1 1.0 ND2 B:ASN259 3.5 23.0 1.0 ND2 A:ASN259 3.5 23.7 1.0 CZ2 B:TRP556 3.8 18.0 1.0 CZ2 A:TRP556 3.8 22.6 1.0 CH2 B:TRP556 4.0 16.9 1.0 CH2 A:TRP556 4.1 23.4 1.0 CB B:ASN259 4.3 20.0 1.0 CB A:ASN259 4.3 20.9 1.0 CG B:ASN259 4.4 25.5 1.0 CG A:ASN259 4.4 27.1 1.0 CG B:PRO310 4.6 19.1 1.0 CD B:PRO310 4.6 17.8 1.0 CD A:PRO310 4.7 19.2 1.0 CG A:PRO310 4.8 19.8 1.0

Chlorine binding site 2 out of 3 in the Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:59.5 occ:1.00 CL A:0LA602 0.0 59.5 1.0 C3 A:0LA602 1.8 56.3 1.0 C2 A:0LA602 2.7 55.4 1.0 C4 A:0LA602 2.7 54.8 1.0 CE2 A:PHE381 3.3 28.1 1.0 CE1 A:PHE432 3.8 26.1 1.0 CD2 A:PHE381 3.9 24.9 1.0 C4A A:0LA602 4.0 57.1 1.0 C1 A:0LA602 4.0 54.4 1.0 CB A:ALA377 4.1 19.3 1.0 CA A:ALA377 4.1 20.2 1.0 CD1 A:PHE432 4.1 26.5 1.0 CD1 A:LEU380 4.2 28.0 1.0 CZ A:PHE381 4.4 26.9 1.0 C9A A:0LA602 4.5 56.9 1.0 CD1 A:ILE491 4.5 27.2 1.0 CG2 A:THR488 4.7 28.0 1.0 N A:ALA377 4.8 20.2 1.0 C4 A:OHO601 4.9 32.7 1.0

Chlorine binding site 3 out of 3 in the Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Faah with A Non-Steroidal Anti-Inflammatory Drug within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:58.4 occ:1.00 CL B:0LA602 0.0 58.4 1.0 C3 B:0LA602 1.8 57.0 1.0 C2 B:0LA602 2.7 54.2 1.0 C4 B:0LA602 2.8 56.3 1.0 CE2 B:PHE381 3.3 25.7 1.0 CD2 B:PHE381 4.0 21.8 1.0 C1 B:0LA602 4.0 55.2 1.0 C4A B:0LA602 4.1 57.2 1.0 CE1 B:PHE432 4.1 27.6 1.0 CD1 B:LEU380 4.1 30.0 1.0 CD1 B:ILE491 4.3 24.9 1.0 CA B:ALA377 4.4 22.0 1.0 CZ B:PHE381 4.4 26.1 1.0 CD1 B:PHE432 4.4 28.5 1.0 C4 B:OHO601 4.5 30.0 1.0 CB B:ALA377 4.5 18.8 1.0 C9A B:0LA602 4.6 56.7 1.0 CG2 B:THR488 4.7 26.8 1.0 CB B:LEU380 4.9 18.6 1.0

L.Bertolacci, E.Romeo, M.Veronesi, P.Magotti, C.Albani, M.Dionisi, C.Lambruschini, R.Scarpelli, A.Cavalli, M.De Vivo, D.Piomelli, G.Garau. A Binding Site For Nonsteroidal Anti-Inflammatory Drugs in Fatty Acid Amide Hydrolase. J.Am.Chem.Soc. V. 135 22 2013.
ISSN: ISSN 0002-7863
PubMed: 23240907
DOI: 10.1021/JA308733U