Chlorine in PDB 5f0a: Crystal Structure of PVX_084705 with Bound 1-Tert-Butyl-3-(3- Chlorophenoxy)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine Inhibitor

The structure of Crystal Structure of PVX_084705 with Bound 1-Tert-Butyl-3-(3- Chlorophenoxy)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine Inhibitor, PDB code: 5f0a was solved by J.R.Walker, A.K.Wernimont, H.He, A.Seitova, P.Loppnau, L.D.Sibley, S.Graslund, A.Hutchinson, C.Bountra, J.Weigelt, A.M.Edwards, C.H.Arrowsmith, R.Hui, M.El Bakkouri, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	192.172, 117.452, 67.699, 90.00, 94.55, 90.00
R / Rfree (%)	20.9 / 24.2

The binding sites of Chlorine atom in the Crystal Structure of PVX_084705 with Bound 1-Tert-Butyl-3-(3- Chlorophenoxy)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine Inhibitor (pdb code 5f0a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of PVX_084705 with Bound 1-Tert-Butyl-3-(3- Chlorophenoxy)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine Inhibitor, PDB code: 5f0a:

Chlorine binding site 1 out of 1 in the Crystal Structure of PVX_084705 with Bound 1-Tert-Butyl-3-(3- Chlorophenoxy)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of PVX_084705 with Bound 1-Tert-Butyl-3-(3- Chlorophenoxy)-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:72.8 occ:1.00 CL1 A:1FB901 0.0 72.8 1.0 CAO A:1FB901 1.7 67.8 1.0 CAJ A:1FB901 2.7 67.4 1.0 CAG A:1FB901 2.7 68.3 1.0 CB A:PHE609 3.5 81.8 1.0 CG2 A:THR611 3.8 66.8 1.0 CG A:PHE609 3.8 82.1 1.0 CD2 A:PHE609 3.8 81.0 1.0 CAQ A:1FB901 4.0 67.0 1.0 CAF A:1FB901 4.0 68.7 1.0 CG2 A:THR586 4.1 67.3 1.0 CD A:LYS563 4.1 93.3 1.0 CAH A:1FB901 4.5 68.4 1.0 CD1 A:PHE609 4.7 83.9 1.0 CB A:LYS563 4.7 93.0 1.0 CE2 A:PHE609 4.8 81.3 1.0 CD1 A:LEU597 4.9 67.4 1.0 NZ A:LYS563 4.9 95.1 1.0 CA A:PHE609 4.9 83.8 1.0

J.R.Walker, A.K.Wernimont, H.He, A.Seitova, P.Loppnau, L.D.Sibley, S.Graslund, A.Hutchinson, C.Bountra, J.Weigelt, A.M.Edwards, C.H.Arrowsmith, R.Hui, M.El Bakkouri, Structural Genomics Consortium (Sgc). Crystal Structure of PVX_084705 with Bound Inhibitor To Be Published.