Fluorine in PDB 5fet: Crystal Structure of PVX_084705 in Presence of Compound 2

The structure of Crystal Structure of PVX_084705 in Presence of Compound 2, PDB code: 5fet was solved by A.K.Wernimont, W.Tempel, J.R.Walker, H.He, A.Seitova, T.Hills, A.M.Neculai, D.A.Baker, C.Flueck, C.A.Kettleborough, C.H.Arrowsmith, A.M.Edwards, C.Bountra, R.Hui, A.Hutchinson, M.El Bakkouri, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.18 / 3.07
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	190.520, 117.250, 67.420, 90.00, 94.34, 90.00
R / Rfree (%)	22.8 / 24.7

The binding sites of Fluorine atom in the Crystal Structure of PVX_084705 in Presence of Compound 2 (pdb code 5fet). 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 PVX_084705 in Presence of Compound 2, PDB code: 5fet:

Fluorine binding site 1 out of 1 in the Crystal Structure of PVX_084705 in Presence of Compound 2


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 PVX_084705 in Presence of Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:67.0 occ:1.00 FAY A:1TR901 0.0 67.0 1.0 CAX A:1TR901 1.4 66.9 1.0 CAZ A:1TR901 2.3 66.8 1.0 CAW A:1TR901 2.3 66.8 1.0 CG2 A:THR611 3.1 76.4 1.0 CB A:PHE609 3.2 86.9 1.0 CBA A:1TR901 3.6 66.7 1.0 CAV A:1TR901 3.6 66.7 1.0 O A:PHE609 3.6 86.5 1.0 CG A:PHE609 4.0 89.6 1.0 CB A:LYS563 4.1 0.5 1.0 CAU A:1TR901 4.1 66.7 1.0 C A:PHE609 4.1 87.3 1.0 OG1 A:THR611 4.2 78.4 1.0 CD A:LYS563 4.3 0.6 1.0 CB A:THR611 4.3 77.7 1.0 CA A:PHE609 4.3 86.5 1.0 CD2 A:PHE609 4.6 90.9 1.0 CD1 A:LEU597 4.7 72.1 1.0 CD1 A:PHE609 4.8 94.9 1.0 CG A:LYS563 4.8 0.4 1.0

A.K.Wernimont, W.Tempel, J.R.Walker, H.He, A.Seitova, T.Hills, A.M.Neculai, D.A.Baker, C.Flueck, C.A.Kettleborough, C.H.Arrowsmith, A.M.Edwards, C.Bountra, R.Hui, A.Hutchinson, M.El Bakkouri. Crystal Structure of PVX_084705 in Presence of Compound 2 To Be Published.