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Chlorine in PDB 2wj1: 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with 7-Phenyl-1-(4-(Pyridin-2- Yl)Oxazol-2-Yl)Heptan-1-One, An Alpha-Ketooxazole

Enzymatic activity of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with 7-Phenyl-1-(4-(Pyridin-2- Yl)Oxazol-2-Yl)Heptan-1-One, An Alpha-Ketooxazole

All present enzymatic activity of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with 7-Phenyl-1-(4-(Pyridin-2- Yl)Oxazol-2-Yl)Heptan-1-One, An Alpha-Ketooxazole:
3.5.1.4;

Protein crystallography data

The structure of 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with 7-Phenyl-1-(4-(Pyridin-2- Yl)Oxazol-2-Yl)Heptan-1-One, An Alpha-Ketooxazole, PDB code: 2wj1 was solved by M.Mileni, J.Garfunkle, J.K.Demartino, B.F.Cravatt, D.L.Boger, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.306 / 1.84
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.830, 106.210, 79.390, 90.00, 100.20, 90.00
R / Rfree (%) 18.58 / 21.42

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with 7-Phenyl-1-(4-(Pyridin-2- Yl)Oxazol-2-Yl)Heptan-1-One, An Alpha-Ketooxazole (pdb code 2wj1). 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 7-Phenyl-1-(4-(Pyridin-2- Yl)Oxazol-2-Yl)Heptan-1-One, An Alpha-Ketooxazole, PDB code: 2wj1:

Chlorine binding site 1 out of 1 in 2wj1

Go back to Chlorine Binding Sites List in 2wj1
Chlorine binding site 1 out of 1 in the 3D-Crystal Structure of Humanized-Rat Fatty Acid Amide Hydrolase (Faah) Conjugated with 7-Phenyl-1-(4-(Pyridin-2- Yl)Oxazol-2-Yl)Heptan-1-One, An Alpha-Ketooxazole


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 7-Phenyl-1-(4-(Pyridin-2- Yl)Oxazol-2-Yl)Heptan-1-One, An Alpha-Ketooxazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1578

b:28.8
occ:1.00
 O A:HOH2110 3.1 30.7 1.0
O A:HOH2046 3.1 26.9 1.0
ND2 A:ASN259 3.6 22.8 1.0
ND2 B:ASN259 3.6 25.1 1.0
CZ2 A:TRP556 3.8 17.8 1.0
CZ2 B:TRP556 3.9 19.8 1.0
CH2 A:TRP556 4.0 20.3 1.0
CH2 B:TRP556 4.1 18.7 1.0
CG A:PRO310 4.3 29.7 1.0
CB A:ASN259 4.3 16.1 1.0
CB B:ASN259 4.4 15.9 1.0
CG A:ASN259 4.5 28.6 1.0
CG B:ASN259 4.5 31.3 1.0
CG B:PRO310 4.7 20.1 1.0
CD A:PRO310 4.7 16.1 1.0
CD B:PRO310 4.8 14.3 1.0

Reference:

M.Mileni, J.Garfunkle, J.K.Demartino, B.F.Cravatt, D.L.Boger, R.C.Stevens. Binding and Inactivation Mechanism of A Humanized Fatty Acid Amide Hydrolase By Alpha- Ketoheterocycle Inhibitors Revealed From Cocrystal Structures. J.Am.Chem.Soc. V. 131 10497 2009.
ISSN: ISSN 0002-7863
PubMed: 19722626
DOI: 10.1021/JA902694N
Page generated: Sat Jul 20 12:57:34 2024

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