Fluorine in PDB 7jlm: Crystal Structure of Bacillus Subtilis Upps in Complex with Mac- 0547630

The structure of Crystal Structure of Bacillus Subtilis Upps in Complex with Mac- 0547630, PDB code: 7jlm was solved by S.D.Workman, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.51 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	85.724, 87.4, 159.024, 90, 90, 90
R / Rfree (%)	19.5 / 24.9

The binding sites of Fluorine atom in the Crystal Structure of Bacillus Subtilis Upps in Complex with Mac- 0547630 (pdb code 7jlm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Bacillus Subtilis Upps in Complex with Mac- 0547630, PDB code: 7jlm:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Bacillus Subtilis Upps in Complex with Mac- 0547630


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 Bacillus Subtilis Upps in Complex with Mac- 0547630 within 5.0Å range: probe atom residue distance (Å) B Occ A:F302 b:57.3 occ:1.00 F25 A:V07302 0.0 57.3 1.0 C22 A:V07302 1.4 43.1 1.0 C21 A:V07302 2.4 39.2 1.0 C23 A:V07302 2.4 37.5 1.0 CG1 A:ILE138 3.4 60.4 1.0 CD1 A:ILE123 3.5 68.5 1.0 C20 A:V07302 3.6 44.5 1.0 C24 A:V07302 3.6 40.8 1.0 CD2 A:PHE155 3.7 47.7 1.0 CD1 A:LEU107 3.9 68.1 1.0 CG2 A:ILE138 4.0 66.9 1.0 CG1 A:VAL121 4.1 52.0 1.0 C19 A:V07302 4.1 37.5 1.0 CG1 A:ILE123 4.2 69.7 1.0 CB A:ILE138 4.2 62.5 1.0 CE2 A:PHE155 4.2 51.9 1.0 CD1 A:ILE138 4.3 56.9 1.0 CG A:PHE155 4.4 50.2 1.0 CD2 A:LEU107 4.4 55.7 1.0 CG A:LEU107 4.5 64.0 1.0 CA A:ILE138 4.5 68.5 1.0 CB A:PHE155 4.6 51.5 1.0 CB A:PRO103 4.8 58.8 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Bacillus Subtilis Upps in Complex with Mac- 0547630


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Bacillus Subtilis Upps in Complex with Mac- 0547630 within 5.0Å range: probe atom residue distance (Å) B Occ B:F302 b:64.9 occ:1.00 F25 B:V07302 0.0 64.9 1.0 C22 B:V07302 1.4 64.7 1.0 C23 B:V07302 2.4 63.1 1.0 C21 B:V07302 2.4 58.9 1.0 CG1 B:ILE138 3.5 65.8 1.0 CD1 B:LEU107 3.5 60.8 1.0 C20 B:V07302 3.6 58.5 1.0 C24 B:V07302 3.6 60.9 1.0 CD1 B:ILE123 3.7 62.9 1.0 CD2 B:PHE155 3.9 63.1 1.0 C19 B:V07302 4.1 54.5 1.0 CG2 B:ILE138 4.1 57.8 1.0 CB B:ILE138 4.2 63.8 1.0 CE2 B:PHE155 4.3 59.6 1.0 CG B:LEU107 4.3 69.4 1.0 CG2 B:VAL121 4.4 65.6 1.0 CD2 B:LEU107 4.4 71.6 1.0 CA B:ILE138 4.4 68.2 1.0 CD1 B:ILE138 4.5 66.8 1.0 CG1 B:ILE123 4.5 62.7 1.0 CG B:PHE155 4.5 54.8 1.0 CB B:PRO103 4.6 54.8 1.0 CB B:PHE155 4.9 51.3 1.0 CB B:ALA141 4.9 71.1 1.0

S.D.Workman, J.Day, M.A.Farha, E.D.Brown, M.G.Organ, N.C.J.S.Strynadka. Structural Insight Into the Inhibition of Undecaprenyl Pyrophosphate Synthase From Gram Positive Bacteria To Be Published.