Fluorine in PDB 1ogw: Synthetic Ubiquitin with Fluoro-Leu at 50 and 67

The structure of Synthetic Ubiquitin with Fluoro-Leu at 50 and 67, PDB code: 1ogw was solved by D.Alexeev, R.Ramage, D.W.Young, L.Sawyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.0 / 1.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.840, 42.770, 28.950, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / n/a

The binding sites of Fluorine atom in the Synthetic Ubiquitin with Fluoro-Leu at 50 and 67 (pdb code 1ogw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Synthetic Ubiquitin with Fluoro-Leu at 50 and 67, PDB code: 1ogw:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Synthetic Ubiquitin with Fluoro-Leu at 50 and 67


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Synthetic Ubiquitin with Fluoro-Leu at 50 and 67 within 5.0Å range: probe atom residue distance (Å) B Occ A:F50 b:17.9 occ:0.63 F1 A:LEF50 0.0 17.9 0.6 CD1 A:LEF50 0.7 15.1 0.4 CD1 A:LEF50 1.3 13.7 0.6 F1 A:LEF50 1.5 12.8 0.4 CG A:LEF50 2.2 14.9 0.4 CG A:LEF50 2.3 14.3 0.6 CB A:LEF50 2.8 17.2 1.0 CD2 A:LEF50 3.0 15.3 0.4 CB A:LEU43 3.5 13.9 1.0 CD2 A:LEF50 3.7 14.8 0.6 CD1 A:LEF67 3.7 14.6 1.0 CD1 A:ILE23 3.8 17.7 1.0 CD1 A:LEU43 3.9 14.8 1.0 CG A:LEU43 4.3 13.6 1.0 CA A:LEF50 4.3 15.8 1.0 CD2 A:LEF67 4.4 15.7 1.0 CD1 A:ILE61 4.4 15.2 1.0 C A:LEU43 4.4 14.6 1.0 O A:LEU43 4.5 14.9 1.0 CG A:LEF67 4.5 12.8 1.0 CG1 A:ILE23 4.5 19.4 1.0 F1 A:LEF67 4.5 21.2 1.0 CA A:LEU43 4.6 13.6 1.0 CG2 A:ILE23 4.7 19.2 1.0 N A:LEF50 4.8 14.6 1.0 N A:ILE44 4.8 12.8 1.0 CB A:LEF67 4.8 12.8 1.0 CD2 A:LEU56 4.9 14.9 1.0 CB A:PHE45 4.9 15.5 1.0 CD2 A:LEU43 5.0 15.6 1.0

Fluorine binding site 2 out of 3 in the Synthetic Ubiquitin with Fluoro-Leu at 50 and 67


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Synthetic Ubiquitin with Fluoro-Leu at 50 and 67 within 5.0Å range: probe atom residue distance (Å) B Occ A:F50 b:12.8 occ:0.37 F1 A:LEF50 0.0 12.8 0.4 CD1 A:LEF50 1.3 15.1 0.4 CD1 A:LEF50 1.3 13.7 0.6 F1 A:LEF50 1.5 17.9 0.6 CG A:LEF50 2.4 14.9 0.4 CG A:LEF50 2.5 14.3 0.6 CD2 A:LEF50 2.8 15.3 0.4 CD2 A:LEF67 3.4 15.7 1.0 CD2 A:LEF50 3.4 14.8 0.6 CB A:PHE45 3.5 15.5 1.0 CD1 A:LEF67 3.5 14.6 1.0 CB A:LEF50 3.6 17.2 1.0 CG A:LEF67 3.8 12.8 1.0 CD1 A:ILE61 3.9 15.2 1.0 C A:ILE44 4.0 11.4 1.0 CB A:LEU43 4.0 13.9 1.0 N A:PHE45 4.0 13.6 1.0 CB A:LEF67 4.0 12.8 1.0 O A:ILE44 4.2 14.2 1.0 N A:ILE44 4.3 12.8 1.0 C A:LEU43 4.3 14.6 1.0 CA A:PHE45 4.4 13.5 1.0 O A:LEU43 4.5 14.9 1.0 CA A:ILE44 4.5 13.3 1.0 CG A:PHE45 4.6 12.6 1.0 F1 A:LEF67 4.6 21.2 1.0 CA A:LEU43 4.8 13.6 1.0 CA A:LEF67 4.9 11.4 1.0 CD1 A:LEU43 4.9 14.8 1.0 CA A:LEF50 4.9 15.8 1.0 CG A:LEU43 5.0 13.6 1.0

Fluorine binding site 3 out of 3 in the Synthetic Ubiquitin with Fluoro-Leu at 50 and 67


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Synthetic Ubiquitin with Fluoro-Leu at 50 and 67 within 5.0Å range: probe atom residue distance (Å) B Occ A:F67 b:21.2 occ:1.00 F1 A:LEF67 0.0 21.2 1.0 CD1 A:LEF67 1.3 14.6 1.0 CG A:LEF67 2.3 12.8 1.0 CB A:LEF67 2.9 12.8 1.0 CG2 A:VAL5 3.6 14.1 1.0 CD1 A:ILE3 3.6 13.2 1.0 CD2 A:LEF67 3.6 15.7 1.0 CG1 A:VAL26 3.7 14.7 1.0 CD2 A:LEU43 4.0 15.6 1.0 CD1 A:LEU43 4.1 14.8 1.0 CA A:LEF67 4.4 11.4 1.0 F1 A:LEF50 4.5 17.9 0.6 F1 A:LEF50 4.6 12.8 0.4 CG A:LEU43 4.6 13.6 1.0 CB A:VAL5 4.7 12.6 1.0 CG1 A:VAL5 4.8 14.5 1.0 N A:LEF67 4.8 12.4 1.0 O A:PHE4 4.8 15.4 1.0 CG1 A:ILE3 4.9 12.4 1.0 CD1 A:LEU15 4.9 16.8 1.0 CD1 A:ILE30 5.0 16.6 1.0 CB A:VAL26 5.0 14.0 1.0

D.Alexeev, P.N.Barlow, S.M.Bury, J.-D.Charrier, A.Cooper, D.Hadfield, C.Jamieson, S.M.Kelly, R.Layfield, R.J.Mayer, H.Mcsparran, N.C.Price, R.Ramage, L.Sawyer, B.A.Starkmann, D.Uhrin, J.Willken, D.W.Young. Synthesis, Structural and Biological Studies of Ubiquitin Mutants Containing (2S, 4S)-5-Fluoroleucine Residues Strategically Placed in the Hydrophobic Core Chembiochem V. 4 894 2003.
ISSN: ISSN 1439-4227
PubMed: 12964166
DOI: 10.1002/CBIC.200300699