Fluorine in PDB 7uad: Crystal Structure of Human PTPN2 with Inhibitor Abbv-Cls-484

All present enzymatic activity of Crystal Structure of Human PTPN2 with Inhibitor Abbv-Cls-484:
3.1.3.48;

The structure of Crystal Structure of Human PTPN2 with Inhibitor Abbv-Cls-484, PDB code: 7uad was solved by K.L.Longenecker, W.Qiu, Q.Sun, J.M.Frost, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.39 / 2.04
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.65, 142.78, 77.95, 90, 90, 90
R / Rfree (%)	20.3 / 24.5

The binding sites of Fluorine atom in the Crystal Structure of Human PTPN2 with Inhibitor Abbv-Cls-484 (pdb code 7uad). 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 Human PTPN2 with Inhibitor Abbv-Cls-484, PDB code: 7uad:

Fluorine binding site 1 out of 1 in the Crystal Structure of Human PTPN2 with Inhibitor Abbv-Cls-484


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 Human PTPN2 with Inhibitor Abbv-Cls-484 within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:43.8 occ:1.00 F A:M5R401 0.0 43.8 1.0 C14 A:M5R401 1.3 43.5 1.0 C11 A:M5R401 2.3 42.6 1.0 C15 A:M5R401 2.4 44.0 1.0 N1 A:M5R401 2.7 41.9 1.0 C16 A:M5R401 2.8 44.9 1.0 CG A:GLN260 3.0 52.0 1.0 C12 A:M5R401 3.1 41.6 1.0 O2 A:M5R401 3.2 41.2 1.0 CG1 A:ILE220 3.5 40.2 1.0 OE1 A:GLN260 3.5 55.1 1.0 CD A:GLN260 3.5 54.5 1.0 CD1 A:ILE220 3.6 41.6 1.0 S A:M5R401 3.6 40.9 1.0 C10 A:M5R401 3.6 42.3 1.0 C8 A:M5R401 3.6 43.9 1.0 CE1 A:PHE183 3.9 43.6 1.0 CB A:GLN260 4.0 50.5 1.0 CZ A:PHE183 4.1 43.1 1.0 C9 A:M5R401 4.1 43.1 1.0 CB A:ALA218 4.1 38.4 1.0 C13 A:M5R401 4.1 41.6 1.0 N2 A:M5R401 4.3 41.3 1.0 C5 A:M5R401 4.3 45.5 1.0 N A:GLY221 4.3 39.9 1.0 NE2 A:GLN260 4.6 54.5 1.0 CD1 A:PHE183 4.7 43.5 1.0 O3 A:M5R401 4.7 40.5 1.0 CA A:GLY221 4.7 39.4 1.0 O A:M5R401 4.7 41.2 1.0 C7 A:M5R401 4.9 44.4 1.0 CB A:ILE220 4.9 39.1 1.0 CE2 A:PHE183 5.0 43.6 1.0

C.K.Baumgartner, J.M.Frost, K.M.Hamel, K.A.Mcguire, G.T.Halvorsen, K.Halliwill, G.Prasanthi, K.L.Klinge, Z.Xiong, R.Duggan, L.Mu, K.L.Longenecker, J.Klahn, C.Hrusch, N.Krishnan, C.W.Hutchins, A.Iracheta-Vellve, J.D.Aguado, M.Bulic, W.Qiu, Q.Sun, M.Paddock, E.P.Farney, K.B.Yates, R.T.Manguso, C.Beauregard, P.R.Kym. PTPN2/N1 Inhibitor Abbv-Cls-484 Unleashes Potent Anti-Tumour Immunity Nature 2023.
ISSN: ESSN 1476-4687