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Chlorine in PDB 3oj8: Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain

Enzymatic activity of Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain

All present enzymatic activity of Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain:
3.5.1.99;

Protein crystallography data

The structure of Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain, PDB code: 3oj8 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) 39.53 / 1.90
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 103.299, 103.299, 253.355, 90.00, 90.00, 120.00
R / Rfree (%) 15.4 / 18.5

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain (pdb code 3oj8). 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 Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain, PDB code: 3oj8:

Chlorine binding site 1 out of 1 in 3oj8

Go back to Chlorine Binding Sites List in 3oj8
Chlorine binding site 1 out of 1 in the Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2

b:21.1
occ:1.00
 O A:HOH743 3.1 19.0 1.0
O B:HOH807 3.1 24.0 1.0
ND2 B:ASN259 3.5 21.0 1.0
ND2 A:ASN259 3.5 18.3 1.0
CZ2 B:TRP556 3.7 18.7 1.0
CZ2 A:TRP556 3.8 19.0 1.0
O A:HOH920 3.9 49.9 1.0
CH2 B:TRP556 3.9 20.3 1.0
CH2 A:TRP556 4.0 19.3 1.0
CB A:ASN259 4.2 17.0 1.0
CB B:ASN259 4.2 15.1 1.0
CG A:ASN259 4.3 22.0 1.0
CG B:ASN259 4.3 25.2 1.0
CD A:PRO310 4.8 18.0 1.0
CG A:PRO310 4.8 24.4 1.0
CD B:PRO310 4.9 17.4 1.0
CG B:PRO310 4.9 21.2 1.0
CE2 B:TRP556 5.0 16.5 1.0

Reference:

C.Ezzili, M.Mileni, N.Mcglinchey, J.Z.Long, S.G.Kinsey, D.G.Hochstatter, R.C.Stevens, A.H.Lichtman, B.F.Cravatt, E.J.Bilsky, D.L.Boger. Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain J.Med.Chem. V. 54 2805 2011.
ISSN: ISSN 0022-2623
PubMed: 21428410
DOI: 10.1021/JM101597X
Page generated: Sat Dec 12 09:59:55 2020

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