Fluorine in PDB 7si4: Crystal Structure of Eed with Mrtx-2219

The structure of Crystal Structure of Eed with Mrtx-2219, PDB code: 7si4 was solved by R.J.Gunn, A.C.Burns, J.D.Lawson, M.A.Marx, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.28 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.658, 85.279, 91.236, 90, 90, 90
R / Rfree (%)	17.2 / 21.3

The binding sites of Fluorine atom in the Crystal Structure of Eed with Mrtx-2219 (pdb code 7si4). 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 Crystal Structure of Eed with Mrtx-2219, PDB code: 7si4:

Fluorine binding site 1 out of 1 in the Crystal Structure of Eed with Mrtx-2219


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 Eed with Mrtx-2219 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:36.0 occ:1.00 F A:9JL501 0.0 36.0 1.0 C1M A:9JL501 1.4 36.0 1.0 C1I A:9JL501 2.3 39.4 1.0 C1E A:9JL501 2.4 35.0 1.0 C1D A:9JL501 2.9 38.9 1.0 N12 A:9JL501 3.0 36.1 1.0 CB A:ASN194 3.1 26.7 1.0 O A:LEU240 3.2 36.0 1.0 CG A:ASN194 3.2 36.8 1.0 OD1 A:ASN194 3.4 38.4 1.0 C1H A:9JL501 3.6 35.5 1.0 C1F A:9JL501 3.6 34.3 1.0 NH2 A:ARG367 3.7 44.2 1.0 CD2 A:LEU240 3.7 38.9 1.0 CA A:LEU240 3.7 31.3 1.0 O A:ASN194 3.8 36.6 1.0 CD1 A:TYR365 3.8 40.8 1.0 CB A:LEU240 3.8 38.9 1.0 C A:LEU240 3.9 32.6 1.0 ND2 A:ASN194 3.9 37.9 1.0 CA A:ASN194 4.0 31.6 1.0 CE1 A:TYR365 4.0 43.2 1.0 C1G A:9JL501 4.1 35.6 1.0 C1C A:9JL501 4.1 36.1 1.0 C A:ASN194 4.2 33.0 1.0 CZ A:ARG367 4.4 41.3 1.0 CG A:LEU240 4.4 40.1 1.0 NH1 A:ARG367 4.4 35.9 1.0 N1 A:9JL501 4.8 41.0 1.0 N13 A:9JL501 4.8 43.1 1.0 C1Q A:9JL501 4.9 37.5 1.0 C1K A:9JL501 5.0 41.8 1.0

A.C.Burns, R.J.Gunn, A.C.Burns, J.D.Lawson, M.A.Marx. N/A N/A.