Fluorine in PDB 4wh9: Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor

All present enzymatic activity of Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor:
3.1.3.48;

The structure of Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor, PDB code: 4wh9 was solved by G.L.Lund, S.Dudkin, D.Borkin, W.Ni, J.Grembecka, T.Cierpicki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.39 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.660, 71.470, 73.940, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 15.2

The binding sites of Fluorine atom in the Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor (pdb code 4wh9). 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 Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor, PDB code: 4wh9:

Fluorine binding site 1 out of 1 in the Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:13.6 occ:0.80 FAH A:3M8601 0.0 13.6 0.8 CAF A:3M8601 1.3 15.0 0.8 CAA A:3M8601 2.3 16.1 0.8 CAE A:3M8601 2.4 15.0 0.8 CAG A:3M8601 2.7 14.9 0.8 O A:CYS484 3.2 12.1 1.0 CB A:ARG488 3.3 11.3 1.0 NAJ A:3M8601 3.4 22.4 0.8 CE A:MET505 3.4 13.5 1.0 SG A:CYS484 3.5 13.0 1.0 CAD A:3M8601 3.6 16.4 0.8 C A:CYS484 3.6 11.4 1.0 CAB A:3M8601 3.6 16.3 0.8 CA A:ARG485 3.8 12.0 1.0 N A:ARG485 3.9 12.2 1.0 CG A:ARG488 4.0 11.6 1.0 CD2 A:LEU398 4.0 16.3 1.0 CAC A:3M8601 4.1 17.4 0.8 CB A:CYS484 4.4 10.8 1.0 CA A:CYS484 4.5 11.1 1.0 CA A:ARG488 4.6 10.5 1.0 CZ A:ARG488 4.7 10.8 1.0 CG A:ARG485 4.7 14.7 1.0 OAI A:3M8601 4.7 15.6 0.8 N A:ARG488 4.7 10.3 1.0 C A:ARG485 4.7 12.0 1.0 NE A:ARG488 4.7 10.6 1.0 CB A:ARG485 4.8 11.9 1.0 NH1 A:ARG488 4.8 13.2 1.0 O A:ARG485 4.8 12.4 1.0 O A:HOH876 4.8 29.4 1.0 CD A:ARG488 4.9 11.9 1.0

G.Lund, S.Dudkin, D.Borkin, W.Ni, J.Grembecka, T.Cierpicki. Inhibition of CDC25B Phosphatase Through Disruption of Protein-Protein Interaction. Acs Chem.Biol. 2014.
ISSN: ESSN 1554-8937
PubMed: 25423142
DOI: 10.1021/CB500883H