Fluorine in PDB 5o6h: Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917

All present enzymatic activity of Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917:
2.3.1.97;

The structure of Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917, PDB code: 5o6h was solved by J.A.Brannigan, A.J.Wilkinson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.00 / 1.29
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.138, 178.852, 58.465, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 19.3

The structure of Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917 (pdb code 5o6h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917, PDB code: 5o6h:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917 within 5.0Å range: probe atom residue distance (Å) B Occ A:F2005 b:15.0 occ:1.00 F A:9M22005 0.0 15.0 1.0 C13 A:9M22005 1.4 14.5 1.0 C12 A:9M22005 2.4 13.4 1.0 C14 A:9M22005 2.4 14.5 1.0 CB A:ASN451 3.2 12.5 1.0 N A:ALA452 3.3 11.4 1.0 C A:ASN451 3.5 11.2 1.0 C A:ALA452 3.6 12.4 1.0 C11 A:9M22005 3.6 14.6 1.0 C15 A:9M22005 3.6 14.5 1.0 CA A:ALA452 3.6 10.8 1.0 O A:ALA452 3.7 13.2 1.0 CB A:TYR296 3.7 12.7 1.0 O A:HOH2309 3.9 14.6 1.0 CD1 A:TYR420 3.9 9.5 1.0 CA A:ASN451 3.9 11.9 1.0 O A:HOH2220 4.0 30.1 1.0 N A:LEU453 4.0 11.6 1.0 CE1 A:TYR420 4.0 11.3 1.0 O A:ASN451 4.1 12.3 1.0 C10 A:9M22005 4.2 14.1 1.0 O A:TRP297 4.3 12.3 1.0 CG A:LEU453 4.3 12.8 1.0 CG A:ASN451 4.4 14.1 1.0 CD2 A:LEU453 4.6 13.6 1.0 CA A:TYR296 4.6 12.8 1.0 CA A:LEU453 4.8 11.2 1.0 O A:9M22005 4.8 15.3 1.0 OD1 A:ASN451 4.8 19.2 1.0 CG A:TYR296 4.8 13.7 1.0 N A:TRP297 4.8 11.6 1.0 C16 A:9M22005 4.9 19.1 1.0

Fluorine binding site 2 out of 2 in the Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human NMT1 in Complex with Myristoyl-Coa and Inhibitor Imp-917 within 5.0Å range: probe atom residue distance (Å) B Occ B:F2007 b:13.2 occ:1.00 F B:9M22007 0.0 13.2 1.0 C13 B:9M22007 1.4 11.8 1.0 C14 B:9M22007 2.4 12.3 1.0 C12 B:9M22007 2.4 12.6 1.0 N B:ALA452 3.2 9.5 1.0 CB B:ASN451 3.2 12.2 1.0 C B:ASN451 3.4 9.8 1.0 C B:ALA452 3.5 10.0 1.0 CA B:ALA452 3.6 9.2 1.0 C11 B:9M22007 3.6 11.9 1.0 C15 B:9M22007 3.6 12.6 1.0 O B:ALA452 3.7 10.5 1.0 CB B:TYR296 3.8 10.8 1.0 CA B:ASN451 3.9 10.2 1.0 CD1 B:TYR420 3.9 11.4 1.0 O B:ASN451 3.9 10.6 1.0 N B:LEU453 3.9 9.9 1.0 O B:HOH2228 3.9 13.7 1.0 CE1 B:TYR420 4.1 12.3 1.0 C10 B:9M22007 4.1 12.5 1.0 O B:HOH2289 4.2 22.5 1.0 CG B:LEU453 4.3 10.3 1.0 O B:TRP297 4.3 10.8 1.0 CG B:ASN451 4.4 14.8 1.0 CD2 B:LEU453 4.5 11.2 1.0 CA B:TYR296 4.7 11.2 1.0 CA B:LEU453 4.7 10.6 1.0 O B:9M22007 4.8 13.8 1.0 OD1 B:ASN451 4.8 19.4 1.0 N B:TRP297 4.9 10.6 1.0 CG B:TYR296 4.9 11.8 1.0 C16 B:9M22007 5.0 14.6 1.0

A.Mousnier, A.S.Bell, D.P.Swieboda, J.Morales-Sanfrutos, I.Perez-Dorado, J.A.Brannigan, J.Newman, M.Ritzefeld, J.A.Hutton, A.Guedan, A.S.Asfor, S.W.Robinson, I.Hopkins-Navratilova, A.J.Wilkinson, S.L.Johnston, R.J.Leatherbarrow, T.J.Tuthill, R.Solari, E.W.Tate. Fragment-Derived Inhibitors of Human N-Myristoyltransferase Block Capsid Assembly and Replication of the Common Cold Virus. Nat Chem V. 10 599 2018.
ISSN: ESSN 1755-4349
PubMed: 29760414
DOI: 10.1038/S41557-018-0039-2