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Fluorine in PDB 6hgw: Soluble Epoxide Hydrolase in Complex with 2-(4-Fluorophenyl)-N-(4- Phenoxybenzyl)Ethanamine

Enzymatic activity of Soluble Epoxide Hydrolase in Complex with 2-(4-Fluorophenyl)-N-(4- Phenoxybenzyl)Ethanamine

All present enzymatic activity of Soluble Epoxide Hydrolase in Complex with 2-(4-Fluorophenyl)-N-(4- Phenoxybenzyl)Ethanamine:
3.1.3.76; 3.3.2.10;

Protein crystallography data

The structure of Soluble Epoxide Hydrolase in Complex with 2-(4-Fluorophenyl)-N-(4- Phenoxybenzyl)Ethanamine, PDB code: 6hgw was solved by J.S.Kramer, D.Pogoryelov, K.Hiesinger, E.Proschak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.27 / 2.41
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 80.180, 92.420, 106.530, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 23.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Soluble Epoxide Hydrolase in Complex with 2-(4-Fluorophenyl)-N-(4- Phenoxybenzyl)Ethanamine (pdb code 6hgw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Soluble Epoxide Hydrolase in Complex with 2-(4-Fluorophenyl)-N-(4- Phenoxybenzyl)Ethanamine, PDB code: 6hgw:

Fluorine binding site 1 out of 1 in 6hgw

Go back to Fluorine Binding Sites List in 6hgw
Fluorine binding site 1 out of 1 in the Soluble Epoxide Hydrolase in Complex with 2-(4-Fluorophenyl)-N-(4- Phenoxybenzyl)Ethanamine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Soluble Epoxide Hydrolase in Complex with 2-(4-Fluorophenyl)-N-(4- Phenoxybenzyl)Ethanamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:0.4
occ:1.00
 F01 A:G3W601 0.0 0.4 1.0
C02 A:G3W601 1.4 0.3 1.0
C05 A:G3W601 2.4 0.8 1.0
C03 A:G3W601 2.4 0.2 1.0
CE A:MET419 3.6 0.9 1.0
C06 A:G3W601 3.6 0.9 1.0
C04 A:G3W601 3.7 0.3 1.0
SD A:MET419 3.7 0.7 1.0
C07 A:G3W601 4.1 99.3 1.0
CZ2 A:TRP525 4.3 56.3 1.0
CG A:MET419 4.5 0.8 1.0
CD2 A:LEU408 4.5 56.0 1.0
CE2 A:TRP525 4.9 55.9 1.0
NE1 A:TRP525 4.9 51.4 1.0
CD1 A:LEU417 5.0 0.6 1.0

Reference:

J.S.Kramer, D.Pogoryelov, K.Hiesinger, E.Proschak. Soluble Epoxide Hydrolase in Complex with 2-(4-Fluorophenyl)-N-(4-Phenoxybenzyl)Ethanamine To Be Published.
Page generated: Thu Aug 1 21:08:51 2024

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