Fluorine in PDB 8qdt: NMR2 Structure of Kras G12V (Gmppnp Bound) in Complex with 2-Fluoro-N- [(3-Methyl-1H-Pyrazol-4-Yl)Methyl]Aniline

The binding sites of Fluorine atom in the NMR2 Structure of Kras G12V (Gmppnp Bound) in Complex with 2-Fluoro-N- [(3-Methyl-1H-Pyrazol-4-Yl)Methyl]Aniline (pdb code 8qdt). 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 NMR2 Structure of Kras G12V (Gmppnp Bound) in Complex with 2-Fluoro-N- [(3-Methyl-1H-Pyrazol-4-Yl)Methyl]Aniline, PDB code: 8qdt:

Fluorine binding site 1 out of 1 in the NMR2 Structure of Kras G12V (Gmppnp Bound) in Complex with 2-Fluoro-N- [(3-Methyl-1H-Pyrazol-4-Yl)Methyl]Aniline


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of NMR2 Structure of Kras G12V (Gmppnp Bound) in Complex with 2-Fluoro-N- [(3-Methyl-1H-Pyrazol-4-Yl)Methyl]Aniline within 5.0Å range: probe atom residue distance (Å) B Occ A:F500 b:0.0 occ:1.00 F A:UXJ500 0.0 0.0 1.0 C10 A:UXJ500 1.3 0.0 1.0 C9 A:UXJ500 2.4 0.0 1.0 C5 A:UXJ500 2.4 0.0 1.0 H12 A:UXJ500 2.4 0.0 1.0 H11 A:UXJ500 2.6 0.0 1.0 HD2 A:LYS5 2.7 0.0 1.0 N2 A:UXJ500 2.7 0.0 1.0 HD11 A:LEU56 3.2 0.0 1.0 HB3 A:LYS5 3.5 0.0 1.0 HB2 A:LEU56 3.6 0.0 1.0 C8 A:UXJ500 3.6 0.0 1.0 C6 A:UXJ500 3.6 0.0 1.0 CD A:LYS5 3.7 0.0 1.0 OD1 A:ASP54 4.0 0.0 1.0 HD3 A:LYS5 4.0 0.0 1.0 HD23 A:LEU56 4.1 0.0 1.0 C7 A:UXJ500 4.1 0.0 1.0 C4 A:UXJ500 4.2 0.0 1.0 CD1 A:LEU56 4.2 0.0 1.0 HZ1 A:LYS5 4.3 0.0 1.0 CB A:LYS5 4.4 0.0 1.0 HZ3 A:LYS5 4.4 0.0 1.0 CG A:LYS5 4.4 0.0 1.0 HG3 A:LYS5 4.5 0.0 1.0 CB A:LEU56 4.5 0.0 1.0 H6 A:UXJ500 4.5 0.0 1.0 H4 A:UXJ500 4.5 0.0 1.0 HD12 A:LEU56 4.5 0.0 1.0 CG A:ASP54 4.5 0.0 1.0 HA A:LYS5 4.6 0.0 1.0 CE A:LYS5 4.7 0.0 1.0 H3 A:UXJ500 4.7 0.0 1.0 NZ A:LYS5 4.7 0.0 1.0 HB3 A:LEU56 4.7 0.0 1.0 H2 A:UXJ500 4.7 0.0 1.0 OD2 A:ASP54 4.8 0.0 1.0 CG A:LEU56 4.8 0.0 1.0 HE3 A:LYS5 4.8 0.0 1.0 HG22 A:VAL7 4.8 0.0 1.0 C3 A:UXJ500 4.9 0.0 1.0 CD2 A:LEU56 5.0 0.0 1.0 HD13 A:LEU56 5.0 0.0 1.0

M.Buetikofer, J.Orts. NMR2 Structure of Kras G12V (Gmppnp Bound) in Complex with 5-(1H-Indol-2-L)Piperazin-2-One To Be Published.