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Fluorine in PDB 4pkv: Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 16

Enzymatic activity of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 16

All present enzymatic activity of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 16:
3.4.24.83;

Protein crystallography data

The structure of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 16, PDB code: 4pkv was solved by K.M.Maize, B.C.Finzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.04 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.480, 78.729, 139.090, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 25.3

Other elements in 4pkv:

The structure of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 16 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 16 (pdb code 4pkv). 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 Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 16, PDB code: 4pkv:

Fluorine binding site 1 out of 1 in 4pkv

Go back to Fluorine Binding Sites List in 4pkv
Fluorine binding site 1 out of 1 in the Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 16


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Anthrax Toxin Lethal Factor with Bound Small Molecule Inhibitor 16 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F801

b:70.9
occ:1.00
 F16 A:30R801 0.0 70.9 1.0
C13 A:30R801 1.3 66.7 1.0
C12 A:30R801 2.4 68.6 1.0
C14 A:30R801 2.4 61.9 1.0
C17 A:30R801 2.8 69.8 1.0
CD2 A:LEU677 3.1 54.7 1.0
OE2 A:GLU739 3.1 43.1 1.0
NE A:ARG742 3.4 40.2 1.0
C11 A:30R801 3.6 66.5 1.0
C15 A:30R801 3.6 59.4 1.0
CG A:LEU677 3.7 65.3 1.0
ND1 A:HIS686 3.9 42.0 1.0
CD A:GLU739 3.9 49.1 1.0
CD A:ARG742 4.0 45.2 1.0
OE1 A:GLU739 4.0 48.0 1.0
CZ A:ARG742 4.1 45.6 1.0
CD1 A:LEU677 4.1 56.3 1.0
C10 A:30R801 4.1 70.2 1.0
CG A:HIS686 4.2 40.9 1.0
NH2 A:ARG742 4.2 48.2 1.0
CB A:HIS686 4.3 34.3 1.0
CE1 A:HIS686 4.5 41.5 1.0
CD2 A:HIS686 4.8 40.5 1.0

Reference:

K.M.Maize, E.K.Kurbanov, T.De La Mora-Rey, T.W.Geders, D.J.Hwang, M.A.Walters, R.L.Johnson, E.A.Amin, B.C.Finzel. Anthrax Toxin Lethal Factor Domain 3 Is Highly Mobile and Responsive to Ligand Binding. Acta Crystallogr.,Sect.D V. 70 2813 2014.
ISSN: ESSN 1399-0047
DOI: 10.1107/S1399004714018161
Page generated: Thu Aug 1 04:55:13 2024

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