Fluorine in PDB 6cqc: Rnase P Protein From Thermotoga Maritima in Complex with 1-(4- Fluorophenyl)-2-Thiourea

All present enzymatic activity of Rnase P Protein From Thermotoga Maritima in Complex with 1-(4- Fluorophenyl)-2-Thiourea:
3.1.26.5;

The structure of Rnase P Protein From Thermotoga Maritima in Complex with 1-(4- Fluorophenyl)-2-Thiourea, PDB code: 6cqc was solved by A.Torres-Larios, E.A.Madrigal-Carrillo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.29 / 1.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.136, 64.264, 68.121, 90.00, 101.63, 90.00
R / Rfree (%)	18 / 19.9

The binding sites of Fluorine atom in the Rnase P Protein From Thermotoga Maritima in Complex with 1-(4- Fluorophenyl)-2-Thiourea (pdb code 6cqc). 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 Rnase P Protein From Thermotoga Maritima in Complex with 1-(4- Fluorophenyl)-2-Thiourea, PDB code: 6cqc:

Fluorine binding site 1 out of 1 in the Rnase P Protein From Thermotoga Maritima in Complex with 1-(4- Fluorophenyl)-2-Thiourea


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Rnase P Protein From Thermotoga Maritima in Complex with 1-(4- Fluorophenyl)-2-Thiourea within 5.0Å range: probe atom residue distance (Å) B Occ D:F201 b:68.3 occ:1.00 F1 D:8P4201 0.0 68.3 1.0 C3 D:8P4201 1.4 64.3 1.0 C4 D:8P4201 2.4 61.1 1.0 C2 D:8P4201 2.4 61.4 1.0 H2 D:8P4201 2.6 73.4 1.0 H5 D:8P4201 2.6 73.6 1.0 C5 D:8P4201 3.6 59.6 1.0 C1 D:8P4201 3.7 58.7 1.0 HE2 D:LYS90 3.7 58.2 1.0 HG3 D:LYS90 3.9 48.2 1.0 HE3 D:LYS90 3.9 58.2 1.0 HB2 D:LYS53 4.0 31.6 1.0 C6 D:8P4201 4.2 57.8 1.0 CE D:LYS90 4.2 48.5 1.0 HD2 D:LYS53 4.3 50.1 1.0 H3 D:8P4201 4.4 71.5 1.0 H4 D:8P4201 4.4 70.4 1.0 O D:LYS53 4.5 20.7 1.0 HG3 D:LYS53 4.6 43.7 1.0 CG D:LYS90 4.8 40.2 1.0 HG3 D:GLU94 4.8 36.6 1.0 CB D:LYS53 4.9 26.3 1.0 OG D:SER93 5.0 25.1 1.0

E.A.Madrigal-Carrillo, C.A.Diaz-Tufinio, H.A.Santamaria-Suarez, M.Arciniega-Castro, A.Torres-Larios. Discovery of Novel Rnase P Inhibitors Via An Activity-Binding-Structure Pipeline To Be Published.