Atomistry » Fluorine » PDB 3oyl-3pr2 » 3ppm
Atomistry »
  Fluorine »
    PDB 3oyl-3pr2 »
      3ppm »

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

Enzymatic activity of Crystal Structure of A Noncovalently 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 Noncovalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase:
3.5.1.99;

Protein crystallography data

The structure of Crystal Structure of A Noncovalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase, PDB code: 3ppm 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) 33.94 / 1.78
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 103.692, 103.692, 254.705, 90.00, 90.00, 120.00
R / Rfree (%) 15.1 / 17.6

Other elements in 3ppm:

The structure of Crystal Structure of A Noncovalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of A Noncovalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase (pdb code 3ppm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of A Noncovalently Bound Alpha-Ketoheterocycle Inhibitor (Phenhexyl/Oxadiazole/Pyridine) to A Humanized Variant of Fatty Acid Amide Hydrolase, PDB code: 3ppm:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3ppm

Go back to Fluorine Binding Sites List in 3ppm
Fluorine binding site 1 out of 2 in the Crystal Structure of A Noncovalently 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 Fluorine with other atoms in the F binding site number 1 of Crystal Structure of A Noncovalently 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:F603

b:17.4
occ:1.00
 OG A:SER241 2.5 15.9 1.0
N A:ILE238 2.6 13.3 1.0
N A:GLY239 2.7 16.6 1.0
N A:SER241 2.7 14.2 1.0
CB A:SER241 2.9 14.6 1.0
C13 A:JG1600 3.0 28.8 1.0
N A:GLY240 3.1 15.3 1.0
CA A:SER241 3.3 15.5 1.0
N9 A:JG1600 3.5 23.4 1.0
CA A:ASP237 3.5 14.5 1.0
C A:ASP237 3.5 15.6 1.0
C A:ILE238 3.5 14.8 1.0
CA A:ILE238 3.5 16.0 1.0
CA A:GLY239 3.5 16.3 1.0
C A:GLY239 3.7 17.5 1.0
C A:GLY240 3.8 16.4 1.0
CG2 A:ILE238 3.8 15.7 1.0
OD2 A:ASP237 3.8 14.4 1.0
C12 A:JG1600 3.9 24.1 1.0
C10 A:JG1600 3.9 20.1 1.0
CA A:GLY240 4.0 14.2 1.0
C16 A:JG1600 4.1 35.5 1.0
C15 A:JG1600 4.1 35.2 1.0
CG A:ASP237 4.2 15.9 1.0
CB A:ILE238 4.2 15.5 1.0
N8 A:JG1600 4.4 26.4 1.0
CB A:ASP237 4.4 13.2 1.0
N A:ASP237 4.5 14.2 1.0
O A:THR236 4.6 13.0 1.0
C A:SER241 4.7 14.5 1.0
O A:GLY239 4.7 16.3 1.0
O A:ASP237 4.7 16.2 1.0
O A:ILE238 4.7 14.8 1.0
O A:GLY240 4.9 14.3 1.0
OG A:SER217 4.9 15.7 1.0
OD1 A:ASP237 4.9 15.5 1.0
O14 A:JG1600 4.9 30.2 1.0

Fluorine binding site 2 out of 2 in 3ppm

Go back to Fluorine Binding Sites List in 3ppm
Fluorine binding site 2 out of 2 in the Crystal Structure of A Noncovalently 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 Fluorine with other atoms in the F binding site number 2 of Crystal Structure of A Noncovalently 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
B:F602

b:16.5
occ:1.00
 OG B:SER241 2.5 14.2 1.0
N B:ILE238 2.7 11.6 1.0
N B:GLY239 2.7 14.8 1.0
N B:SER241 2.7 15.8 1.0
CB B:SER241 2.8 12.6 1.0
C13 B:JG1600 3.0 31.0 1.0
N B:GLY240 3.2 12.8 1.0
CA B:SER241 3.3 15.5 1.0
N9 B:JG1600 3.4 24.3 1.0
CA B:ASP237 3.5 12.4 1.0
C B:ILE238 3.5 14.0 1.0
CA B:ILE238 3.5 13.4 1.0
C B:ASP237 3.5 13.9 1.0
CA B:GLY239 3.6 13.1 1.0
C B:GLY239 3.7 15.5 1.0
CG2 B:ILE238 3.8 18.4 1.0
C B:GLY240 3.8 15.0 1.0
OD2 B:ASP237 3.8 12.8 1.0
C12 B:JG1600 3.8 30.1 1.0
C10 B:JG1600 3.9 23.5 1.0
CA B:GLY240 4.0 12.4 1.0
C15 B:JG1600 4.1 36.3 1.0
C16 B:JG1600 4.2 32.8 1.0
CG B:ASP237 4.2 14.5 1.0
CB B:ILE238 4.2 15.0 1.0
N8 B:JG1600 4.3 27.3 1.0
CB B:ASP237 4.5 15.0 1.0
N B:ASP237 4.6 13.6 1.0
O B:THR236 4.7 12.8 1.0
C B:SER241 4.7 13.3 1.0
O B:GLY239 4.7 14.5 1.0
O B:ILE238 4.7 13.6 1.0
O B:ASP237 4.7 14.2 1.0
O B:GLY240 4.9 16.4 1.0
OG B:SER217 4.9 14.4 1.0
OD1 B:ASP237 4.9 14.9 1.0
O11 B:JG1600 4.9 27.4 1.0
O14 B:JG1600 4.9 28.8 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: Wed Jul 31 21:48:49 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy