Fluorine in PDB 4pfc: Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor

All present enzymatic activity of Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor:
3.4.24.56;

The structure of Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor, PDB code: 4pfc was solved by Y.Wang, S.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.21
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	78.944, 115.823, 123.966, 90.00, 97.89, 90.00
R / Rfree (%)	20.2 / 23.3

The structure of Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor (pdb code 4pfc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor, PDB code: 4pfc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor


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 Insulin Degrading Enzyme Complexed with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1101 b:70.5 occ:1.00 F A:2QX1101 0.0 70.5 1.0 C12 A:2QX1101 1.3 68.2 1.0 C13 A:2QX1101 2.3 64.9 1.0 C11 A:2QX1101 2.5 67.6 1.0 C10 A:2QX1101 3.0 71.0 1.0 C9 A:2QX1101 3.2 70.4 1.0 C41 A:2QX1101 3.4 73.8 1.0 CD1 A:LEU201 3.4 49.9 1.0 CB A:LEU201 3.6 44.3 1.0 C14 A:2QX1101 3.6 63.9 1.0 N4 A:2QX1101 3.6 75.7 1.0 CE1 A:TYR314 3.7 38.4 1.0 C16 A:2QX1101 3.7 64.2 1.0 OH A:TYR314 3.7 40.2 1.0 CZ A:TYR314 3.8 43.4 1.0 CG A:LEU201 4.1 49.7 1.0 C15 A:2QX1101 4.1 64.3 1.0 O A:ALA198 4.2 47.0 1.0 CA A:ALA198 4.3 41.0 1.0 CD1 A:TYR314 4.5 38.0 1.0 O A:HOH1453 4.5 51.3 1.0 CB A:ALA198 4.6 41.6 1.0 C7 A:2QX1101 4.7 68.4 1.0 CE2 A:TYR314 4.7 38.3 1.0 C A:ALA198 4.8 46.1 1.0 C42 A:2QX1101 4.8 77.5 1.0 CA A:LEU201 4.9 43.6 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Insulin Degrading Enzyme Complexed with Inhibitor


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 Insulin Degrading Enzyme Complexed with Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F1101 b:67.3 occ:1.00 F B:2QX1101 0.0 67.3 1.0 C12 B:2QX1101 1.3 68.7 1.0 C13 B:2QX1101 2.3 67.8 1.0 C11 B:2QX1101 2.4 70.1 1.0 C41 B:2QX1101 3.0 71.5 1.0 N4 B:2QX1101 3.1 72.9 1.0 C10 B:2QX1101 3.1 70.8 1.0 CB B:LEU201 3.4 37.1 1.0 C14 B:2QX1101 3.6 68.7 1.0 CD1 B:LEU201 3.7 42.0 1.0 CE1 B:TYR314 3.7 38.8 1.0 C9 B:2QX1101 3.7 69.2 1.0 C16 B:2QX1101 3.7 68.8 1.0 OH B:TYR314 3.7 40.9 1.0 CZ B:TYR314 3.8 41.1 1.0 CG B:LEU201 3.8 42.0 1.0 CD2 B:LEU201 3.9 44.3 1.0 C42 B:2QX1101 4.1 71.0 1.0 C15 B:2QX1101 4.1 68.4 1.0 O B:ALA198 4.4 38.8 1.0 CD1 B:TYR314 4.5 39.5 1.0 CE2 B:TYR314 4.6 37.9 1.0 CA B:LEU201 4.7 37.2 1.0 CA B:ALA198 4.7 35.0 1.0 C B:LEU201 4.8 41.3 1.0 O3 B:2QX1101 4.8 71.2 1.0 N B:PHE202 4.9 39.7 1.0 O2 B:2QX1101 4.9 70.3 1.0 C7 B:2QX1101 4.9 65.7 1.0

T.B.Durham, J.L.Toth, V.J.Klimkowski, J.X.Cao, A.M.Siesky, J.Alexander-Chacko, G.Y.Wu, J.T.Dixon, J.E.Mcgee, Y.Wang, S.Y.Guo, R.N.Cavitt, J.Schindler, S.J.Thibodeaux, N.A.Calvert, M.J.Coghlan, D.K.Sindelar, M.Christe, V.V.Kiselyov, M.D.Michael, K.W.Sloop. Dual Exosite-Binding Inhibitors of Insulin-Degrading Enzyme Challenge Its Role As the Primary Mediator of Insulin Clearance in Vivo. J.Biol.Chem. V. 290 20044 2015.
ISSN: ESSN 1083-351X
PubMed: 26085101
DOI: 10.1074/JBC.M115.638205