Fluorine in PDB 3hp9: Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam

All present enzymatic activity of Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam:
3.1.11.1;

The structure of Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam, PDB code: 3hp9 was solved by K.A.Satyshur, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.81 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.671, 91.939, 103.081, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.1

The structure of Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam (pdb code 3hp9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam, PDB code: 3hp9:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam


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 Ssb/Exonuclease I in Complex with Inhibitor Cfam within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:28.8 occ:1.00 F1 A:CF1501 0.0 28.8 1.0 C14 A:CF1501 1.3 27.6 1.0 F3 A:CF1501 2.1 27.3 1.0 F2 A:CF1501 2.2 27.2 1.0 C13 A:CF1501 2.3 25.9 1.0 C12 A:CF1501 2.8 25.1 1.0 CG A:LEU331 3.3 14.5 1.0 CB A:CYS330 3.3 12.2 1.0 N A:LEU331 3.4 12.7 1.0 O A:ARG327 3.4 15.3 1.0 C15 A:CF1501 3.4 25.8 1.0 CD2 A:LEU331 3.4 14.7 1.0 C A:CYS330 3.7 12.7 1.0 CA A:LEU331 3.8 13.4 1.0 CB A:LEU331 4.0 13.2 1.0 CA A:CYS330 4.1 12.4 1.0 C11 A:CF1501 4.1 25.2 1.0 CG A:ARG327 4.2 16.4 1.0 CE3 A:TRP245 4.2 9.9 1.0 O A:CYS330 4.3 12.7 1.0 C A:ARG327 4.4 15.0 1.0 CD1 A:LEU331 4.4 15.6 1.0 CD2 A:TRP245 4.5 10.0 1.0 C9 A:CF1501 4.6 26.4 1.0 CA A:ARG327 4.6 15.1 1.0 CZ3 A:TRP245 4.7 10.9 1.0 SG A:CYS330 4.7 12.4 1.0 C10 A:CF1501 4.8 25.8 1.0 CG A:TRP245 4.8 8.8 1.0 N A:CYS330 4.9 12.5 1.0 CB A:TRP245 5.0 9.0 1.0 CB A:ARG327 5.0 14.9 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam


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 Ssb/Exonuclease I in Complex with Inhibitor Cfam within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:27.3 occ:1.00 F3 A:CF1501 0.0 27.3 1.0 C14 A:CF1501 1.3 27.6 1.0 F2 A:CF1501 2.1 27.2 1.0 F1 A:CF1501 2.1 28.8 1.0 C13 A:CF1501 2.3 25.9 1.0 C12 A:CF1501 2.9 25.1 1.0 CB A:TRP245 3.1 9.0 1.0 CG A:TRP245 3.2 8.8 1.0 C15 A:CF1501 3.4 25.8 1.0 CD2 A:TRP245 3.5 10.0 1.0 CD1 A:LEU264 3.6 11.3 1.0 CB A:CYS330 3.6 12.2 1.0 CE3 A:TRP245 3.8 9.9 1.0 CD1 A:TRP245 3.9 10.8 1.0 C11 A:CF1501 4.2 25.2 1.0 CB A:PRO228 4.3 11.0 1.0 CE2 A:TRP245 4.3 10.3 1.0 NE1 A:TRP245 4.5 10.3 1.0 C9 A:CF1501 4.5 26.4 1.0 C A:CYS330 4.6 12.7 1.0 SG A:CYS330 4.6 12.4 1.0 CA A:TRP245 4.6 8.7 1.0 CA A:CYS330 4.7 12.4 1.0 CZ3 A:TRP245 4.8 10.9 1.0 N A:LEU331 4.8 12.7 1.0 CB A:LEU264 4.8 11.2 1.0 O A:CYS330 4.8 12.7 1.0 CG A:LEU264 4.8 10.9 1.0 C10 A:CF1501 4.8 25.8 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Ssb/Exonuclease I in Complex with Inhibitor Cfam within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:27.2 occ:1.00 F2 A:CF1501 0.0 27.2 1.0 C14 A:CF1501 1.3 27.6 1.0 F3 A:CF1501 2.1 27.3 1.0 F1 A:CF1501 2.2 28.8 1.0 C13 A:CF1501 2.3 25.9 1.0 C15 A:CF1501 2.7 25.8 1.0 CD2 A:LEU331 3.4 14.7 1.0 C12 A:CF1501 3.6 25.1 1.0 CD2 A:LEU334 3.7 14.2 1.0 CD1 A:LEU264 3.9 11.3 1.0 CA A:LEU331 4.0 13.4 1.0 N A:LEU331 4.0 12.7 1.0 CG A:LEU331 4.0 14.5 1.0 C A:CYS330 4.1 12.7 1.0 O A:CYS330 4.1 12.7 1.0 C9 A:CF1501 4.1 26.4 1.0 CB A:PRO228 4.1 11.0 1.0 CB A:LEU334 4.2 14.0 1.0 CG A:PRO228 4.4 11.1 1.0 CB A:CYS330 4.4 12.2 1.0 CB A:LEU331 4.5 13.2 1.0 CG A:LEU334 4.5 13.7 1.0 C8 A:CF1501 4.6 33.9 1.0 C11 A:CF1501 4.7 25.2 1.0 CA A:CYS330 4.9 12.4 1.0 C10 A:CF1501 4.9 25.8 1.0

D.Lu, D.A.Bernstein, K.A.Satyshur, J.L.Keck. Small-Molecule Tools For Dissecting the Roles of Ssb/Protein Interactions in Genome Maintenance Proc.Natl.Acad.Sci.Usa V. 107 633 2010.
ISSN: ISSN 0027-8424
PubMed: 20018747
DOI: 10.1073/PNAS.0909191107