Atomistry » Fluorine » PDB 2vh0-2wbk » 2wap
Atomistry »
  Fluorine »
    PDB 2vh0-2wbk »
      2wap »

Fluorine 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:

Chlorine (Cl) 1 atom
Sodium (Na) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine 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 Fluorine atom.
In total 6 binding sites of Fluorine where 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:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 2wap

Go back to Fluorine Binding Sites List in 2wap
Fluorine binding site 1 out of 6 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 Fluorine with other atoms in the F 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:F1574

b:35.6
occ:1.00
 F28 A:PIX1574 0.0 35.6 1.0
C25 A:PIX1574 1.3 35.0 1.0
F27 A:PIX1574 2.1 36.7 1.0
F26 A:PIX1574 2.1 34.7 1.0
C24 A:PIX1574 2.3 35.1 1.0
C23 A:PIX1574 2.8 35.7 1.0
CB A:LEU372 3.4 32.6 1.0
OH A:TYR335 3.4 32.2 1.0
C A:LEU372 3.4 32.7 1.0
C21 A:PIX1574 3.6 34.6 1.0
O A:LEU372 3.6 33.0 1.0
N A:GLU373 3.6 32.5 1.0
CA A:GLU373 3.7 32.5 1.0
CG A:GLU373 3.8 32.8 1.0
CA A:LEU372 4.0 32.6 1.0
OG1 A:THR377 4.1 31.8 1.0
CZ A:TYR335 4.1 31.2 1.0
N24 A:PIX1574 4.1 35.1 1.0
CE1 A:TYR335 4.2 31.8 1.0
CB A:GLU373 4.4 32.3 1.0
CG A:LEU372 4.5 32.4 1.0
C20 A:PIX1574 4.7 34.0 1.0
CD1 A:LEU372 4.8 32.6 1.0
CD2 A:LEU372 4.9 31.7 1.0
C19 A:PIX1574 4.9 34.4 1.0
C A:GLU373 5.0 32.6 1.0

Fluorine binding site 2 out of 6 in 2wap

Go back to Fluorine Binding Sites List in 2wap
Fluorine binding site 2 out of 6 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 Fluorine with other atoms in the F binding site number 2 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:F1574

b:34.7
occ:1.00
 F26 A:PIX1574 0.0 34.7 1.0
C25 A:PIX1574 1.3 35.0 1.0
F28 A:PIX1574 2.1 35.6 1.0
F27 A:PIX1574 2.2 36.7 1.0
C24 A:PIX1574 2.3 35.1 1.0
C21 A:PIX1574 2.8 34.6 1.0
CZ3 A:TRP531 3.3 33.1 1.0
OH A:TYR335 3.5 32.2 1.0
C23 A:PIX1574 3.6 35.7 1.0
CH2 A:TRP531 3.7 33.0 1.0
CE1 A:TYR335 4.0 31.8 1.0
C20 A:PIX1574 4.1 34.0 1.0
CZ A:TYR335 4.2 31.2 1.0
CA A:GLY489 4.2 34.2 1.0
CE3 A:TRP531 4.3 32.8 1.0
O A:THR488 4.4 34.0 1.0
CD2 A:PHE432 4.5 34.1 1.0
N24 A:PIX1574 4.7 35.1 1.0
N A:GLY489 4.8 33.9 1.0
C A:THR488 4.8 33.7 1.0
C19 A:PIX1574 4.9 34.4 1.0
CZ2 A:TRP531 4.9 32.6 1.0
CG A:GLU373 4.9 32.8 1.0
O A:GLY489 5.0 34.5 1.0

Fluorine binding site 3 out of 6 in 2wap

Go back to Fluorine Binding Sites List in 2wap
Fluorine binding site 3 out of 6 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 Fluorine with other atoms in the F binding site number 3 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:F1574

b:36.7
occ:1.00
 F27 A:PIX1574 0.0 36.7 1.0
C25 A:PIX1574 1.3 35.0 1.0
F28 A:PIX1574 2.1 35.6 1.0
F26 A:PIX1574 2.2 34.7 1.0
C24 A:PIX1574 2.3 35.1 1.0
C21 A:PIX1574 3.1 34.6 1.0
C23 A:PIX1574 3.2 35.7 1.0
CE1 A:TYR335 3.4 31.8 1.0
CB A:LEU372 3.8 32.6 1.0
CG1 A:VAL491 3.9 35.7 1.0
OH A:TYR335 3.9 32.2 1.0
O A:GLY489 4.0 34.5 1.0
CZ A:TYR335 4.0 31.2 1.0
CD1 A:LEU372 4.1 32.6 1.0
CG A:LEU372 4.3 32.4 1.0
CD1 A:TYR335 4.3 31.6 1.0
CD2 A:LEU372 4.3 31.7 1.0
N24 A:PIX1574 4.3 35.1 1.0
C20 A:PIX1574 4.4 34.0 1.0
CA A:GLY489 4.4 34.2 1.0
O A:THR488 4.4 34.0 1.0
C A:GLY489 4.6 34.3 1.0
N A:SER492 4.7 35.4 1.0
CB A:SER492 4.8 35.6 1.0
CA A:SER492 4.8 35.4 1.0
C19 A:PIX1574 4.8 34.4 1.0
CA A:LEU372 4.8 32.6 1.0
C A:LEU372 4.9 32.7 1.0

Fluorine binding site 4 out of 6 in 2wap

Go back to Fluorine Binding Sites List in 2wap
Fluorine binding site 4 out of 6 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 Fluorine with other atoms in the F binding site number 4 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
B:F1574

b:29.1
occ:1.00
 F28 B:PIX1574 0.0 29.1 1.0
C25 B:PIX1574 1.3 29.1 1.0
F26 B:PIX1574 2.1 30.3 1.0
F27 B:PIX1574 2.2 29.2 1.0
C24 B:PIX1574 2.3 29.0 1.0
C23 B:PIX1574 2.8 28.7 1.0
O B:LEU372 3.5 33.0 1.0
C B:LEU372 3.5 32.7 1.0
C21 B:PIX1574 3.5 28.6 1.0
CA B:GLU373 3.6 32.4 1.0
OH B:TYR335 3.6 30.6 1.0
N B:GLU373 3.6 32.5 1.0
CG B:GLU373 3.7 32.4 1.0
CB B:LEU372 3.8 32.4 1.0
OG1 B:THR377 3.9 33.2 1.0
N24 B:PIX1574 4.1 28.6 1.0
CB B:GLU373 4.2 32.1 1.0
CA B:LEU372 4.2 32.5 1.0
CZ B:TYR335 4.3 31.2 1.0
CE1 B:TYR335 4.5 31.2 1.0
C20 B:PIX1574 4.7 28.2 1.0
C B:GLU373 4.8 32.7 1.0
CD2 B:PHE432 4.9 33.1 1.0
C19 B:PIX1574 4.9 27.9 1.0
CG B:LEU372 5.0 32.1 1.0

Fluorine binding site 5 out of 6 in 2wap

Go back to Fluorine Binding Sites List in 2wap
Fluorine binding site 5 out of 6 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 Fluorine with other atoms in the F binding site number 5 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
B:F1574

b:30.3
occ:1.00
 F26 B:PIX1574 0.0 30.3 1.0
C25 B:PIX1574 1.3 29.1 1.0
F28 B:PIX1574 2.1 29.1 1.0
F27 B:PIX1574 2.2 29.2 1.0
C24 B:PIX1574 2.3 29.0 1.0
C21 B:PIX1574 2.7 28.6 1.0
CZ3 B:TRP531 3.2 36.6 1.0
CH2 B:TRP531 3.5 36.7 1.0
C23 B:PIX1574 3.6 28.7 1.0
OH B:TYR335 3.6 30.6 1.0
CE1 B:TYR335 3.9 31.2 1.0
C20 B:PIX1574 4.0 28.2 1.0
CA B:GLY489 4.1 34.7 1.0
CZ B:TYR335 4.2 31.2 1.0
O B:THR488 4.3 33.9 1.0
CE3 B:TRP531 4.3 36.8 1.0
N B:GLY489 4.6 34.3 1.0
C B:THR488 4.6 33.8 1.0
N24 B:PIX1574 4.6 28.6 1.0
CD2 B:PHE432 4.6 33.1 1.0
CZ2 B:TRP531 4.7 36.6 1.0
C19 B:PIX1574 4.8 27.9 1.0
O B:GLY489 4.9 35.2 1.0
CG1 B:VAL491 5.0 36.8 1.0
C B:GLY489 5.0 35.3 1.0

Fluorine binding site 6 out of 6 in 2wap

Go back to Fluorine Binding Sites List in 2wap
Fluorine binding site 6 out of 6 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 Fluorine with other atoms in the F binding site number 6 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
B:F1574

b:29.2
occ:1.00
 F27 B:PIX1574 0.0 29.2 1.0
C25 B:PIX1574 1.3 29.1 1.0
F28 B:PIX1574 2.2 29.1 1.0
F26 B:PIX1574 2.2 30.3 1.0
C24 B:PIX1574 2.3 29.0 1.0
C23 B:PIX1574 3.1 28.7 1.0
C21 B:PIX1574 3.2 28.6 1.0
CE1 B:TYR335 3.5 31.2 1.0
CB B:LEU372 3.6 32.4 1.0
OH B:TYR335 4.0 30.6 1.0
CZ B:TYR335 4.0 31.2 1.0
CG1 B:VAL491 4.0 36.8 1.0
CD1 B:LEU372 4.0 32.8 1.0
CG B:LEU372 4.2 32.1 1.0
O B:GLY489 4.3 35.2 1.0
CD2 B:LEU372 4.3 30.9 1.0
CD1 B:TYR335 4.3 31.3 1.0
N24 B:PIX1574 4.3 28.6 1.0
C20 B:PIX1574 4.4 28.2 1.0
C B:LEU372 4.6 32.7 1.0
CA B:LEU372 4.6 32.5 1.0
CA B:GLY489 4.6 34.7 1.0
O B:LEU372 4.7 33.0 1.0
O B:THR488 4.8 33.9 1.0
CB B:SER492 4.8 36.4 1.0
C B:GLY489 4.8 35.3 1.0
CA B:SER492 4.8 36.6 1.0
C19 B:PIX1574 4.9 27.9 1.0
N B:SER492 4.9 36.6 1.0
N B:GLU373 5.0 32.5 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: Wed Jul 31 16:22:59 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy