Fluorine in PDB 7ozx: Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone

All present enzymatic activity of Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone:
2.7.1.6;

The structure of Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone, PDB code: 7ozx was solved by S.R.Mackinnon, G.A.Bezerra, M.Zhang, W.Foster, T.Krojer, J.Brandao-Neto, C.Arrowsmith, A.Edwards, C.Bountra, P.Brennan, K.Lai, W.W.Yue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	82.57 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.456, 114.499, 120.822, 90, 100.57, 90
R / Rfree (%)	20.8 / 25.8

The binding sites of Fluorine atom in the Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone (pdb code 7ozx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone, PDB code: 7ozx:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone within 5.0Å range: probe atom residue distance (Å) B Occ B:F403 b:87.5 occ:1.00 F01 B:WLJ403 0.0 87.5 1.0 C02 B:WLJ403 1.4 92.3 1.0 C03 B:WLJ403 2.3 96.1 1.0 C08 B:WLJ403 2.4 89.5 1.0 C09 B:WLJ403 2.9 83.5 1.0 C17 B:WLJ403 3.1 75.0 1.0 N11 B:WLJ403 3.3 76.1 1.0 NZ B:LYS388 3.3 43.0 1.0 CG2 B:VAL9 3.5 47.8 1.0 C06 B:WLJ403 3.6 93.2 1.0 C04 B:WLJ403 3.6 97.5 1.0 O10 B:WLJ403 3.7 85.6 1.0 CE B:LYS388 4.0 40.6 1.0 C16 B:WLJ403 4.0 73.5 1.0 C05 B:WLJ403 4.1 97.3 1.0 O B:HOH602 4.2 43.8 1.0 CE B:MET60 4.2 38.9 1.0 CG1 B:VAL9 4.6 53.2 1.0 CB B:VAL9 4.6 50.1 1.0 C12 B:WLJ403 4.7 71.2 1.0 F07 B:WLJ403 4.7 94.9 1.0

Fluorine binding site 2 out of 4 in the Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone within 5.0Å range: probe atom residue distance (Å) B Occ B:F403 b:94.9 occ:1.00 F07 B:WLJ403 0.0 94.9 1.0 C06 B:WLJ403 1.4 93.2 1.0 C08 B:WLJ403 2.3 89.5 1.0 C05 B:WLJ403 2.3 97.3 1.0 C09 B:WLJ403 2.8 83.5 1.0 O10 B:WLJ403 3.0 85.6 1.0 CD2 B:LEU390 3.4 42.3 1.0 C02 B:WLJ403 3.6 92.3 1.0 N11 B:WLJ403 3.6 76.1 1.0 C04 B:WLJ403 3.6 97.5 1.0 CG C:PRO158 3.8 60.4 1.0 CD2 B:LEU13 4.0 42.1 1.0 C03 B:WLJ403 4.1 96.1 1.0 C16 B:WLJ403 4.2 73.5 1.0 C15 B:WLJ403 4.2 73.1 1.0 CB C:PRO158 4.3 59.5 1.0 C17 B:WLJ403 4.3 75.0 1.0 C12 B:WLJ403 4.4 71.2 1.0 CG B:LEU390 4.4 41.3 1.0 CD1 B:LEU390 4.5 42.5 1.0 C13 B:WLJ403 4.5 69.7 1.0 F01 B:WLJ403 4.7 87.5 1.0 CB B:LEU390 4.7 38.4 1.0 C14 B:WLJ403 5.0 69.7 1.0

Fluorine binding site 3 out of 4 in the Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone within 5.0Å range: probe atom residue distance (Å) B Occ C:F403 b:75.7 occ:1.00 F01 C:WLJ403 0.0 75.7 1.0 C02 C:WLJ403 1.4 79.2 1.0 C03 C:WLJ403 2.3 81.5 1.0 C08 C:WLJ403 2.4 78.9 1.0 C09 C:WLJ403 2.9 73.3 1.0 C17 C:WLJ403 3.2 67.7 1.0 N11 C:WLJ403 3.2 69.8 1.0 NZ C:LYS388 3.3 39.5 1.0 C06 C:WLJ403 3.6 82.3 1.0 C04 C:WLJ403 3.6 81.8 1.0 O10 C:WLJ403 3.7 71.3 1.0 CE C:LYS388 3.8 39.0 1.0 CG2 C:VAL9 3.9 57.5 1.0 O C:HOH583 4.1 41.5 1.0 C05 C:WLJ403 4.1 83.1 1.0 C12 C:WLJ403 4.3 68.4 1.0 C16 C:WLJ403 4.5 68.5 1.0 CE C:MET60 4.7 41.9 1.0 F07 C:WLJ403 4.7 82.3 1.0 O C:HOH595 4.8 45.1 1.0 CD C:LYS388 4.9 38.8 1.0

Fluorine binding site 4 out of 4 in the Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6- Difluorophenyl)Methanone within 5.0Å range: probe atom residue distance (Å) B Occ C:F403 b:82.3 occ:1.00 F07 C:WLJ403 0.0 82.3 1.0 C06 C:WLJ403 1.4 82.3 1.0 C08 C:WLJ403 2.3 78.9 1.0 C05 C:WLJ403 2.4 83.1 1.0 C09 C:WLJ403 2.8 73.3 1.0 O10 C:WLJ403 3.0 71.3 1.0 CD2 C:LEU13 3.4 52.9 1.0 C02 C:WLJ403 3.6 79.2 1.0 C04 C:WLJ403 3.6 81.8 1.0 N11 C:WLJ403 3.7 69.8 1.0 CD2 C:LEU390 4.1 47.1 1.0 C03 C:WLJ403 4.1 81.5 1.0 C17 C:WLJ403 4.3 67.7 1.0 C15 C:WLJ403 4.3 68.7 1.0 C16 C:WLJ403 4.3 68.5 1.0 CG C:LEU13 4.7 53.6 1.0 F01 C:WLJ403 4.7 75.7 1.0 C12 C:WLJ403 4.7 68.4 1.0 CG B:PRO158 4.8 38.4 1.0 CB C:LEU13 4.9 52.9 1.0 C13 C:WLJ403 5.0 67.2 1.0

S.R.Mackinnon, G.A.Bezerra, M.Zhang, W.Foster, T.Krojer, J.Brandao-Neto, C.Arrowsmith, A.Edwards, C.Bountra, P.Brennan, K.Lai, W.W.Yue. Structure of Human Galactokinase 1 Bound with Azepan-1-Yl(2,6-Difluorophenyl)Methanone To Be Published.