Fluorine in PDB 6shv: T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine

Protein crystallography data

The structure of T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine, PDB code: 6shv was solved by J.K.Petrick, L.Muenzker, C.Schleberger, I.Cornaciu, D.Clavel, J.A.Marquez, W.Jahnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.98 / 1.81
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 58.213, 58.213, 398.308, 90.00, 90.00, 120.00
R / Rfree (%) 19.6 / 23

Other elements in 6shv:

The structure of T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine (pdb code 6shv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine, PDB code: 6shv:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 6shv

Go back to Fluorine Binding Sites List in 6shv
Fluorine binding site 1 out of 2 in the T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:33.3
occ:0.58
F11 A:LDW401 0.0 33.3 0.6
C10 A:LDW401 1.3 31.6 0.6
C9 A:LDW401 2.3 28.6 0.6
C12 A:LDW401 2.4 30.1 0.6
CE1 A:TYR94 3.3 21.1 0.3
CE A:MET101 3.3 27.4 1.0
CD1 A:TYR94 3.3 20.6 0.3
CB A:GLU97 3.5 17.3 1.0
C8 A:LDW401 3.6 28.5 0.6
C13 A:LDW401 3.6 29.5 0.6
OD1 A:ASP98 3.9 24.1 0.4
C7 A:LDW401 4.1 26.4 0.6
CG A:GLU97 4.2 17.5 1.0
CZ A:TYR94 4.5 24.5 0.3
NE2 A:HIS93 4.6 22.8 1.0
CG A:TYR94 4.6 18.7 0.3
SD A:MET101 4.7 29.7 1.0
CD1 A:TYR94 4.8 18.5 0.7
CA A:GLU97 4.9 16.6 1.0
CE1 A:HIS93 5.0 21.7 1.0
CA A:TYR94 5.0 17.1 0.3
C A:GLU97 5.0 21.0 1.0

Fluorine binding site 2 out of 2 in 6shv

Go back to Fluorine Binding Sites List in 6shv
Fluorine binding site 2 out of 2 in the T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of T. Cruzi Fpps in Complex with 5-(4-Fluorophenoxy)Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F402

b:45.8
occ:0.67
F11 A:LDW402 0.0 45.8 0.7
C10 A:LDW402 1.3 45.1 0.7
C9 A:LDW402 2.4 45.4 0.7
C12 A:LDW402 2.4 42.6 0.7
NE2 A:GLN23 3.5 60.1 1.0
C8 A:LDW402 3.6 44.6 0.7
C13 A:LDW402 3.6 42.7 0.7
CD A:GLN23 4.1 61.3 1.0
C7 A:LDW402 4.1 43.0 0.7
CG A:GLN23 4.2 43.0 1.0
CG A:PRO30 4.2 38.9 1.0
CD A:PRO30 4.4 34.5 1.0
O A:ILE28 4.9 36.1 1.0
OE1 A:GLN23 5.0 54.3 1.0

Reference:

J.K.Petrick, J.Wolfgang. T. Cruzi Fpps-Ligand Complex To Be Published.
Page generated: Sun Dec 13 13:12:19 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy