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Chlorine in PDB 3pr0: Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase

Enzymatic activity of Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase

All present enzymatic activity of Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase:
3.5.1.4;

Protein crystallography data

The structure of Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase, PDB code: 3pr0 was solved by M.Mileni, G.W.Han, 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) 29.74 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 102.240, 105.470, 149.150, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 19

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase (pdb code 3pr0). 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 of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase, PDB code: 3pr0:

Chlorine binding site 1 out of 1 in 3pr0

Go back to Chlorine Binding Sites List in 3pr0
Chlorine binding site 1 out of 1 in the Crystal Structure of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) 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 of A Covalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:46.8
occ:1.00
 O A:HOH825 3.0 41.9 1.0
O A:HOH688 3.0 41.1 1.0
ND2 B:ASN259 3.5 41.5 1.0
ND2 A:ASN259 3.6 34.5 1.0
CZ2 B:TRP556 3.8 28.6 1.0
CZ2 A:TRP556 3.9 30.1 1.0
CH2 B:TRP556 3.9 28.6 1.0
CH2 A:TRP556 4.1 29.1 1.0
CB B:ASN259 4.3 30.2 1.0
CG A:PRO310 4.3 27.5 1.0
CB A:ASN259 4.4 32.6 1.0
CG B:ASN259 4.4 43.2 1.0
CG B:PRO310 4.5 29.5 1.0
CG A:ASN259 4.5 36.7 1.0
CD B:PRO310 4.6 29.3 1.0
CD A:PRO310 4.9 22.2 1.0
O A:HOH804 5.0 36.8 1.0
O A:HOH727 5.0 40.5 1.0

Reference:

M.Mileni, J.Garfunkle, C.Ezzili, B.F.Cravatt, R.C.Stevens, D.L.Boger. Fluoride-Mediated Capture of A Noncovalent Bound State of A Reversible Covalent Enzyme Inhibitor: X-Ray Crystallographic Analysis of An Exceptionally Potent Alpha-Ketoheterocycle Inhibitor of Fatty Acid Amide Hydrolase. J.Am.Chem.Soc. V. 133 4092 2011.
ISSN: ISSN 0002-7863
PubMed: 21355555
DOI: 10.1021/JA110877Y
Page generated: Sun Jul 21 02:33:31 2024

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