Fluorine in PDB 7l0e: Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate

Enzymatic activity of Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate

All present enzymatic activity of Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate:
3.1.1.64; 5.3.3.22;

Protein crystallography data

The structure of Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate, PDB code: 7l0e was solved by P.D.Kiser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.87 / 1.90
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 175.425, 175.425, 86.668, 90, 90, 120
R / Rfree (%) 17.7 / 20.1

Other elements in 7l0e:

The structure of Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate (pdb code 7l0e). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate, PDB code: 7l0e:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7l0e

Go back to Fluorine Binding Sites List in 7l0e
Fluorine binding site 1 out of 4 in the Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate


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 Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F603

b:90.8
occ:1.00
 F1 A:XQ7603 0.0 90.8 1.0
C12 A:XQ7603 1.4 93.8 1.0
F A:XQ7603 2.2 97.8 1.0
C13 A:XQ7603 2.3 90.9 1.0
C11 A:XQ7603 2.3 92.5 1.0
ND2 A:ASN194 3.4 65.8 1.0
C14 A:XQ7603 3.7 89.0 1.0
C10 A:XQ7603 3.7 88.8 1.0
CB A:ASN175 3.9 57.0 1.0
C9 A:XQ7603 4.1 85.4 1.0
O A:HOH923 4.2 62.0 1.0
CB A:ASN194 4.3 57.3 1.0
CG A:ASN194 4.3 63.2 1.0
C A:ASN175 4.3 53.2 1.0
O A:ASN175 4.4 54.3 1.0
N A:GLY176 4.5 50.5 1.0
CA A:ASN175 4.7 55.5 1.0
CA A:GLY176 5.0 47.8 1.0

Fluorine binding site 2 out of 4 in 7l0e

Go back to Fluorine Binding Sites List in 7l0e
Fluorine binding site 2 out of 4 in the Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate


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 Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F603

b:97.8
occ:1.00
 F A:XQ7603 0.0 97.8 1.0
C12 A:XQ7603 1.4 93.8 1.0
F1 A:XQ7603 2.2 90.8 1.0
C13 A:XQ7603 2.3 90.9 1.0
C11 A:XQ7603 2.3 92.5 1.0
C14 A:XQ7603 3.0 89.0 1.0
C10 A:XQ7603 3.0 88.8 1.0
C9 A:XQ7603 3.6 85.4 1.0
CE2 A:TYR275 4.8 53.0 1.0
O1 A:XQ7603 4.8 71.3 1.0
C8 A:XQ7603 4.9 80.5 1.0
O A:ASN175 4.9 54.3 1.0
CD2 A:TYR275 5.0 51.3 1.0

Fluorine binding site 3 out of 4 in 7l0e

Go back to Fluorine Binding Sites List in 7l0e
Fluorine binding site 3 out of 4 in the Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F603

b:89.5
occ:1.00
 F1 B:XQ7603 0.0 89.5 1.0
C12 B:XQ7603 1.4 90.6 1.0
F B:XQ7603 2.2 90.2 1.0
C13 B:XQ7603 2.3 88.5 1.0
C11 B:XQ7603 2.3 89.1 1.0
OD1 B:ASN194 3.7 65.0 1.0
C14 B:XQ7603 3.7 86.1 1.0
C10 B:XQ7603 3.7 85.9 1.0
CB B:ASN175 4.1 55.1 1.0
C9 B:XQ7603 4.2 81.2 1.0
CG B:ASN194 4.4 60.9 1.0
CB B:ASN194 4.4 55.5 1.0
O B:HOH962 4.6 57.0 1.0
C B:ASN175 4.7 52.1 1.0
O B:ASN175 4.7 55.9 1.0
CD1 B:ILE259 4.8 47.6 1.0
N B:GLY176 5.0 48.4 1.0

Fluorine binding site 4 out of 4 in 7l0e

Go back to Fluorine Binding Sites List in 7l0e
Fluorine binding site 4 out of 4 in the Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Bovine RPE65 in Complex with Gem-Difluoro Emixustat and Palmitate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F603

b:90.2
occ:1.00
 F B:XQ7603 0.0 90.2 1.0
C12 B:XQ7603 1.4 90.6 1.0
F1 B:XQ7603 2.2 89.5 1.0
C13 B:XQ7603 2.3 88.5 1.0
C11 B:XQ7603 2.3 89.1 1.0
C14 B:XQ7603 3.0 86.1 1.0
C10 B:XQ7603 3.0 85.9 1.0
C9 B:XQ7603 3.6 81.2 1.0
O B:ASN175 4.3 55.9 1.0
O1 B:XQ7603 4.5 68.9 1.0
C8 B:XQ7603 4.7 76.2 1.0
C B:ASN175 4.8 52.1 1.0
CE2 B:TYR275 4.9 45.5 1.0

Reference:

P.D.Kiser, P.D.Kiser. N/A N/A.
Page generated: Fri Aug 2 08:39:13 2024

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