Fluorine in PDB 3c7n: Structure of the HSP110:HSC70 Nucleotide Exchange Complex

The structure of Structure of the HSP110:HSC70 Nucleotide Exchange Complex, PDB code: 3c7n was solved by J.P.Schuermann, J.Jiang, P.J.Hart, R.Sousa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.38 / 3.12
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	123.533, 169.501, 87.724, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 28.3

The structure of Structure of the HSP110:HSC70 Nucleotide Exchange Complex also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Fluorine atom in the Structure of the HSP110:HSC70 Nucleotide Exchange Complex (pdb code 3c7n). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of the HSP110:HSC70 Nucleotide Exchange Complex, PDB code: 3c7n:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of the HSP110:HSC70 Nucleotide Exchange Complex


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 HSP110:HSC70 Nucleotide Exchange Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F671 b:39.6 occ:1.00 F1 A:BEF671 0.0 39.6 1.0 BE A:BEF671 1.4 39.6 1.0 F2 A:BEF671 2.2 39.6 1.0 F3 A:BEF671 2.2 39.6 1.0 OD1 A:ASP203 2.6 34.3 1.0 O2B A:ADP672 3.0 44.2 1.0 OD2 A:ASP203 3.3 33.3 1.0 CG A:ASP203 3.4 33.1 1.0 CD1 A:ILE372 3.7 24.2 1.0 O1A A:ADP672 3.7 44.2 1.0 OD2 A:ASP174 4.2 24.1 1.0 PB A:ADP672 4.4 44.2 1.0 CG1 A:ILE372 4.5 21.6 1.0 OD2 A:ASP8 4.5 13.6 1.0 O1B A:ADP672 4.8 44.2 1.0 PA A:ADP672 4.8 44.2 1.0 CB A:ASP203 4.8 31.9 1.0 CA A:GLY205 4.9 32.2 1.0 CA A:GLY342 4.9 20.7 1.0 OD1 A:ASP8 4.9 15.6 1.0

Fluorine binding site 2 out of 3 in the Structure of the HSP110:HSC70 Nucleotide Exchange Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the HSP110:HSC70 Nucleotide Exchange Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F671 b:39.6 occ:1.00 F2 A:BEF671 0.0 39.6 1.0 BE A:BEF671 1.4 39.6 1.0 F1 A:BEF671 2.2 39.6 1.0 F3 A:BEF671 2.3 39.6 1.0 O2B A:ADP672 2.7 44.2 1.0 OD1 A:ASP8 3.1 15.6 1.0 OD2 A:ASP8 3.6 13.6 1.0 CA A:GLY10 3.7 36.7 1.0 CG A:ASP8 3.8 16.1 1.0 PB A:ADP672 3.9 44.2 1.0 OD2 A:ASP174 4.0 24.1 1.0 O1B A:ADP672 4.3 44.2 1.0 N A:GLY10 4.3 36.2 1.0 MG A:MG667 4.5 14.8 1.0 NZ A:LYS69 4.5 29.6 1.0 O3B A:ADP672 4.5 44.2 1.0 OD1 A:ASP203 4.5 34.3 1.0 CD1 A:ILE372 4.7 24.2 1.0 O1A A:ADP672 4.8 44.2 1.0

Fluorine binding site 3 out of 3 in the Structure of the HSP110:HSC70 Nucleotide Exchange Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of the HSP110:HSC70 Nucleotide Exchange Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F671 b:39.6 occ:1.00 F3 A:BEF671 0.0 39.6 1.0 BE A:BEF671 1.4 39.6 1.0 F1 A:BEF671 2.2 39.6 1.0 F2 A:BEF671 2.3 39.6 1.0 O2B A:ADP672 2.8 44.2 1.0 MG A:MG667 2.8 14.8 1.0 O1B A:ADP672 3.3 44.2 1.0 PB A:ADP672 3.6 44.2 1.0 OD2 A:ASP174 4.0 24.1 1.0 OD1 A:ASP203 4.0 34.3 1.0 OD2 A:ASP203 4.0 33.3 1.0 NZ A:LYS69 4.1 29.6 1.0 O1A A:ADP672 4.3 44.2 1.0 CA A:GLY205 4.3 32.2 1.0 CG A:ASP203 4.4 33.1 1.0 O3A A:ADP672 4.6 44.2 1.0 CA A:GLY10 4.7 36.7 1.0 O3B A:ADP672 4.8 44.2 1.0 N A:GLY205 4.8 32.1 1.0

J.P.Schuermann, J.Jiang, J.Cuellar, O.Llorca, L.Wang, L.E.Gimenez, S.Jin, A.B.Taylor, B.Demeler, K.A.Morano, P.J.Hart, J.M.Valpuesta, E.M.Lafer, R.Sousa. Structure of the HSP110:HSC70 Nucleotide Exchange Machine Mol.Cell V. 31 232 2008.
ISSN: ISSN 1097-2765
PubMed: 18550409
DOI: 10.1016/J.MOLCEL.2008.05.006