Fluorine in PDB 2oow: Mif Bound to A Fluorinated Oxim Derivative

All present enzymatic activity of Mif Bound to A Fluorinated Oxim Derivative:
5.3.2.1;

The structure of Mif Bound to A Fluorinated Oxim Derivative, PDB code: 2oow was solved by G.V.Crichlow, Y.Al-Abed, E.Lolis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 1.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.610, 67.794, 87.248, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 20.4

The binding sites of Fluorine atom in the Mif Bound to A Fluorinated Oxim Derivative (pdb code 2oow). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Mif Bound to A Fluorinated Oxim Derivative, PDB code: 2oow:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Mif Bound to A Fluorinated Oxim Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mif Bound to A Fluorinated Oxim Derivative within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:42.5 occ:0.52 F2 A:OX4200 0.0 42.5 0.5 C2 A:OX4200 1.3 44.3 0.5 C1 A:OX4200 2.4 45.0 0.5 C3 A:OX4200 2.4 43.8 0.5 O1 A:OX4200 2.7 48.2 0.5 C6 A:OX4200 3.7 43.5 0.5 C4 A:OX4200 3.7 43.4 0.5 CG2 A:ILE64 3.8 15.2 1.0 C5 A:OX4200 4.2 44.3 0.5 CB A:ALA103 4.2 19.0 1.0 CD1 A:ILE64 4.4 18.0 1.0 O A:PHE113 4.5 22.0 1.0 CB A:ILE64 4.5 16.1 1.0 CB A:PHE113 4.6 20.7 1.0 C7 A:OX4200 4.9 42.4 0.5 O A:HOH251 4.9 26.8 1.0

Fluorine binding site 2 out of 2 in the Mif Bound to A Fluorinated Oxim Derivative


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Mif Bound to A Fluorinated Oxim Derivative within 5.0Å range: probe atom residue distance (Å) B Occ C:F200 b:42.8 occ:0.55 F2 C:OX4200 0.0 42.8 0.6 C2 C:OX4200 1.3 44.1 0.6 C1 C:OX4200 2.4 44.9 0.6 C3 C:OX4200 2.4 44.1 0.6 O1 C:OX4200 2.7 47.3 0.6 CG2 C:ILE64 2.9 20.3 1.0 C6 C:OX4200 3.6 42.5 0.6 C4 C:OX4200 3.7 43.5 0.6 CB C:ILE64 3.8 19.8 1.0 CB C:ALA103 4.0 17.3 1.0 CD1 C:ILE64 4.1 20.2 1.0 C5 C:OX4200 4.1 44.0 0.6 CG1 C:ILE64 4.5 19.6 1.0 O C:ILE64 4.7 23.3 1.0 O C:HOH254 4.8 27.2 1.0 C7 C:OX4200 4.9 42.4 0.6 CA C:ALA103 4.9 17.2 1.0

G.V.Crichlow, K.F.Cheng, D.Dabideen, M.Ochani, B.Aljabari, V.A.Pavlov, E.J.Miller, E.Lolis, Y.Al-Abed. Alternative Chemical Modifications Reverse the Binding Orientation of A Pharmacophore Scaffold in the Active Site of Macrophage Migration Inhibitory Factor. J.Biol.Chem. V. 282 23089 2007.
ISSN: ISSN 0021-9258
PubMed: 17526494
DOI: 10.1074/JBC.M701825200