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Chlorine in PDB 2wap: 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845

Enzymatic activity of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845

All present enzymatic activity of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845:
3.5.1.4;

Protein crystallography data

The structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845, PDB code: 2wap was solved by M.Mileni, S.Kamtekar, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.01 / 2.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 102.770, 105.200, 148.030, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 23.2

Other elements in 2wap:

The structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845 (pdb code 2wap). 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 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845, PDB code: 2wap:

Chlorine binding site 1 out of 1 in 2wap

Go back to Chlorine Binding Sites List in 2wap
Chlorine binding site 1 out of 1 in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with the Drug-Like Urea Inhibitor Pf-3845


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 the Drug-Like Urea Inhibitor Pf-3845 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1575

b:23.1
occ:1.00
 ND2 A:ASN259 3.2 31.1 1.0
ND2 B:ASN259 3.4 33.2 1.0
CZ2 B:TRP556 3.6 31.4 1.0
CZ2 A:TRP556 3.8 33.4 1.0
CH2 B:TRP556 3.9 32.0 1.0
CH2 A:TRP556 4.0 33.3 1.0
CB B:ASN259 4.3 33.7 1.0
CG A:ASN259 4.3 33.5 1.0
CG B:ASN259 4.3 34.0 1.0
CB A:ASN259 4.4 33.8 1.0
CG B:PRO310 4.5 32.4 1.0
CD B:PRO310 4.6 32.6 1.0
CG A:PRO310 4.7 33.0 1.0
CD A:PRO310 4.7 33.1 1.0
CE2 B:TRP556 4.8 31.5 1.0
CE2 A:TRP556 5.0 33.0 1.0

Reference:

K.Ahn, D.S.Johnson, M.Mileni, D.Beidler, J.Z.Long, M.K.Mckinney, E.Weerapana, N.Sadagopan, M.Liimatta, S.E.Smith, S.Lazerwith, C.Stiff, S.Kamtekar, K.Bhattacharya, Y.Zhang, S.Swaney, K.Vanbecelaere, R.C.Stevens, B.F.Cravatt. Discovery and Characterization of A Highly Selective Faah Inhibitor That Reduces Inflammatory Pain. Chem.Biol. V. 16 411 2009.
ISSN: ISSN 1074-5521
PubMed: 19389627
DOI: 10.1016/J.CHEMBIOL.2009.02.013
Page generated: Sat Jul 20 12:38:34 2024

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