Fluorine in PDB 3syn: Crystal Structure of Flhf in Complex with Its Activator

The structure of Crystal Structure of Flhf in Complex with Its Activator, PDB code: 3syn was solved by G.Bange, N.Kuemmerer, K.Wild, I.Sinning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.09 / 3.06
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.790, 63.360, 114.500, 92.26, 100.96, 94.25
R / Rfree (%)	18.1 / 23.9

The structure of Crystal Structure of Flhf in Complex with Its Activator also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Aluminium	(Al)	4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Flhf in Complex with Its Activator (pdb code 3syn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of Flhf in Complex with Its Activator, PDB code: 3syn:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


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 Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ A:F368 b:34.2 occ:1.00 F1 A:AF3368 0.0 34.2 1.0 AL A:AF3368 1.6 15.5 1.0 O1B A:GDP1 2.4 11.8 1.0 F3 A:AF3368 2.8 18.2 1.0 O3' B:GDP2 2.8 8.2 1.0 F2 A:AF3368 2.8 10.2 1.0 N A:GLY185 2.9 13.3 1.0 C4' B:GDP2 3.2 19.9 1.0 C3' B:GDP2 3.4 12.4 1.0 CA A:GLY185 3.6 12.5 1.0 C A:THR184 3.7 17.8 1.0 CA A:THR184 3.8 23.3 1.0 PB A:GDP1 3.8 15.2 1.0 C5' B:GDP2 4.0 10.1 1.0 O A:HOH372 4.1 11.6 1.0 CB A:THR184 4.2 23.8 1.0 O4' B:GDP2 4.2 16.6 1.0 O2B A:GDP1 4.3 14.6 1.0 NE A:ARG216 4.4 34.0 1.0 O3A A:GDP1 4.5 14.4 1.0 O A:HOH373 4.5 20.8 1.0 NZ A:LYS188 4.6 13.0 1.0 MG A:MG367 4.7 14.7 1.0 C2' B:GDP2 4.7 11.0 1.0 O3B A:GDP1 4.8 12.2 1.0 C1' B:GDP2 4.8 13.8 1.0 O A:THR184 4.8 21.3 1.0 C A:GLY185 4.8 15.4 1.0 OG1 A:THR184 4.9 23.9 1.0 CD A:ARG216 4.9 15.2 1.0

Fluorine binding site 2 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


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 Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ A:F368 b:10.2 occ:1.00 F2 A:AF3368 0.0 10.2 1.0 AL A:AF3368 1.6 15.5 1.0 O1B A:GDP1 2.5 11.8 1.0 F1 A:AF3368 2.8 34.2 1.0 F3 A:AF3368 2.9 18.2 1.0 NZ A:LYS188 2.9 13.0 1.0 N A:GLY262 3.0 13.1 1.0 MG A:MG367 3.0 14.7 1.0 O A:HOH9 3.5 18.1 1.0 CA A:GLY262 3.5 13.2 1.0 CE A:LYS188 3.5 11.2 1.0 PB A:GDP1 3.5 15.2 1.0 O A:HOH372 3.7 11.6 1.0 O2B A:GDP1 3.7 14.6 1.0 OD2 A:ASP213 3.8 22.4 1.0 O3B A:GDP1 3.8 12.2 1.0 O A:THR260 4.0 13.3 1.0 C A:ALA261 4.0 12.1 1.0 O A:HOH373 4.3 20.8 1.0 CA A:ALA261 4.3 11.0 1.0 N A:GLY185 4.5 13.3 1.0 C A:GLY262 4.6 18.8 1.0 CA A:THR184 4.7 23.3 1.0 O A:SER183 4.8 13.4 1.0 O3' B:GDP2 4.8 8.2 1.0 O A:GLY262 4.8 20.7 1.0 CG A:ASP213 4.8 21.2 1.0 C A:THR260 5.0 14.1 1.0 CD A:LYS188 5.0 11.1 1.0 O3A A:GDP1 5.0 14.4 1.0

Fluorine binding site 3 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


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 Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ A:F368 b:18.2 occ:1.00 F3 A:AF3368 0.0 18.2 1.0 AL A:AF3368 1.6 15.5 1.0 O A:HOH373 2.3 20.8 1.0 F1 A:AF3368 2.8 34.2 1.0 O1B A:GDP1 2.8 11.8 1.0 F2 A:AF3368 2.9 10.2 1.0 NE A:ARG216 2.9 34.0 1.0 MG A:MG367 3.0 14.7 1.0 CG A:ARG216 3.3 17.1 1.0 OD2 A:ASP213 3.4 22.4 1.0 CZ A:ARG216 3.5 27.3 1.0 CD A:ARG216 3.6 15.2 1.0 NH2 A:ARG216 3.7 31.4 1.0 PB A:GDP1 4.1 15.2 1.0 O A:HOH372 4.1 11.6 1.0 O3' B:GDP2 4.1 8.2 1.0 O3B A:GDP1 4.1 12.2 1.0 CB A:ARG216 4.1 11.0 1.0 CB A:ALA219 4.5 10.8 1.0 CG A:ASP213 4.6 21.2 1.0 NH1 A:ARG216 4.6 17.2 1.0 C3' B:GDP2 4.7 12.4 1.0 O2A A:GDP1 4.7 16.8 1.0 OG1 A:THR189 4.8 22.2 1.0 O3A A:GDP1 4.9 14.4 1.0 OE1 A:GLN222 5.0 21.8 1.0

Fluorine binding site 4 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ B:F368 b:31.5 occ:1.00 F1 B:AF3368 0.0 31.5 1.0 AL B:AF3368 1.6 24.5 1.0 O3B B:GDP2 2.5 11.5 1.0 F3 B:AF3368 2.8 19.8 1.0 F2 B:AF3368 2.9 7.9 1.0 C4' A:GDP1 3.0 13.2 1.0 N B:GLY185 3.0 14.0 1.0 O3' A:GDP1 3.0 9.1 1.0 C3' A:GDP1 3.4 11.2 1.0 O B:HOH46 3.4 8.7 1.0 C5' A:GDP1 3.6 7.2 1.0 CA B:GLY185 3.6 11.3 1.0 O B:HOH12 3.8 12.2 1.0 C B:THR184 3.8 20.3 1.0 CA B:THR184 3.9 24.4 1.0 PB B:GDP2 4.0 10.1 1.0 O4' A:GDP1 4.1 13.0 1.0 NE B:ARG216 4.2 34.9 1.0 CB B:THR184 4.3 21.9 1.0 O1B B:GDP2 4.5 7.9 1.0 O3A B:GDP2 4.6 13.6 1.0 MG B:MG367 4.7 10.8 1.0 CD B:ARG216 4.7 15.0 1.0 C2' A:GDP1 4.8 8.8 1.0 C1' A:GDP1 4.8 9.8 1.0 O B:THR184 4.9 29.5 1.0 O5' A:GDP1 4.9 6.9 1.0 C B:GLY185 4.9 11.7 1.0 OG1 B:THR184 4.9 19.5 1.0 O2B B:GDP2 5.0 7.8 1.0 NZ B:LYS188 5.0 10.8 1.0 O B:HOH29 5.0 9.2 1.0 O B:HOH375 5.0 16.7 1.0

Fluorine binding site 5 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ B:F368 b:7.9 occ:1.00 F2 B:AF3368 0.0 7.9 1.0 AL B:AF3368 1.6 24.5 1.0 O B:HOH46 2.7 8.7 1.0 O3B B:GDP2 2.7 11.5 1.0 MG B:MG367 2.8 10.8 1.0 F1 B:AF3368 2.9 31.5 1.0 F3 B:AF3368 2.9 19.8 1.0 NZ B:LYS188 2.9 10.8 1.0 N B:GLY262 3.1 10.3 1.0 CA B:GLY262 3.5 13.9 1.0 PB B:GDP2 3.5 10.1 1.0 O1B B:GDP2 3.6 7.9 1.0 CE B:LYS188 3.7 10.8 1.0 O2B B:GDP2 3.9 7.8 1.0 OD2 B:ASP213 4.0 12.0 1.0 O B:HOH373 4.2 13.9 1.0 C B:ALA261 4.2 13.3 1.0 N B:GLY185 4.3 14.0 1.0 O B:THR260 4.3 14.7 1.0 CA B:THR184 4.4 24.4 1.0 O B:HOH29 4.5 9.2 1.0 O B:HOH375 4.5 16.7 1.0 CA B:ALA261 4.6 13.0 1.0 C B:GLY262 4.6 23.1 1.0 O B:SER183 4.6 15.4 1.0 O B:GLY262 4.8 23.5 1.0 O3' A:GDP1 4.8 9.1 1.0 C B:THR184 4.9 20.3 1.0 O3A B:GDP2 5.0 13.6 1.0

Fluorine binding site 6 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ B:F368 b:19.8 occ:1.00 F3 B:AF3368 0.0 19.8 1.0 AL B:AF3368 1.6 24.5 1.0 O3B B:GDP2 2.5 11.5 1.0 O B:HOH29 2.5 9.2 1.0 MG B:MG367 2.7 10.8 1.0 F1 B:AF3368 2.8 31.5 1.0 F2 B:AF3368 2.9 7.9 1.0 O B:HOH46 2.9 8.7 1.0 NE B:ARG216 3.0 34.9 1.0 OD2 B:ASP213 3.6 12.0 1.0 NH2 B:ARG216 3.6 24.3 1.0 CZ B:ARG216 3.6 29.9 1.0 PB B:GDP2 3.7 10.1 1.0 CG B:ARG216 3.7 15.9 1.0 O2B B:GDP2 3.7 7.8 1.0 O B:HOH12 3.8 12.2 1.0 CD B:ARG216 3.8 15.0 1.0 O2A B:GDP2 4.5 12.9 1.0 CB B:ARG216 4.5 11.6 1.0 O B:HOH374 4.5 26.7 1.0 OG1 B:THR189 4.5 16.3 1.0 CB B:ALA219 4.6 11.3 1.0 O3A B:GDP2 4.6 13.6 1.0 O3' A:GDP1 4.6 9.1 1.0 NH1 B:ARG216 4.7 20.9 1.0 O1B B:GDP2 4.7 7.9 1.0 OE1 B:GLN222 4.7 23.7 1.0 CG B:ASP213 4.8 20.3 1.0 O B:HOH373 4.8 13.9 1.0

Fluorine binding site 7 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ C:F368 b:42.0 occ:1.00 F1 C:AF3368 0.0 42.0 1.0 AL C:AF3368 1.6 27.8 1.0 O3B C:GDP3 2.3 20.9 1.0 N C:GLY185 2.4 16.8 1.0 F3 C:AF3368 2.8 16.6 1.0 F2 C:AF3368 2.8 15.6 1.0 CA C:THR184 3.2 21.5 1.0 C C:THR184 3.2 17.5 1.0 O D:HOH33 3.3 15.6 1.0 CA C:GLY185 3.4 14.8 1.0 O3' D:GDP4 3.5 14.5 1.0 PB C:GDP3 3.6 10.0 1.0 NZ C:LYS188 3.8 11.4 1.0 CB C:THR184 3.8 18.6 1.0 C4' D:GDP4 3.9 17.1 1.0 O1B C:GDP3 4.0 11.6 1.0 O3A C:GDP3 4.1 15.4 1.0 O C:SER183 4.2 15.1 1.0 C3' D:GDP4 4.3 16.0 1.0 N C:THR184 4.4 23.9 1.0 CA C:GLY262 4.4 14.6 1.0 O C:THR184 4.4 25.6 1.0 C C:GLY185 4.5 13.8 1.0 O C:HOH372 4.5 22.2 1.0 N C:GLY262 4.6 14.0 1.0 O2B C:GDP3 4.6 6.9 1.0 N C:ALA186 4.7 13.5 1.0 OG1 C:THR184 4.7 18.9 1.0 C5' D:GDP4 4.7 14.0 1.0 O C:HOH57 4.7 18.4 1.0 C C:SER183 4.7 17.1 1.0 O4' D:GDP4 4.7 16.1 1.0 O C:HOH376 4.8 26.4 1.0 CG2 C:THR184 5.0 19.6 1.0

Fluorine binding site 8 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ C:F368 b:15.6 occ:1.00 F2 C:AF3368 0.0 15.6 1.0 AL C:AF3368 1.6 27.8 1.0 O D:HOH33 2.3 15.6 1.0 O3B C:GDP3 2.5 20.9 1.0 F1 C:AF3368 2.8 42.0 1.0 F3 C:AF3368 2.9 16.6 1.0 MG C:MG367 2.9 23.1 1.0 O C:HOH373 3.1 14.8 1.0 OD2 C:ASP213 3.1 24.6 1.0 N C:GLY262 3.2 14.0 1.0 NZ C:LYS188 3.6 11.4 1.0 PB C:GDP3 3.7 10.0 1.0 O C:HOH372 3.8 22.2 1.0 O2B C:GDP3 3.8 6.9 1.0 O C:THR260 3.9 12.1 1.0 CA C:GLY262 3.9 14.6 1.0 CE C:LYS188 4.0 11.1 1.0 CA C:ALA261 4.1 11.2 1.0 C C:ALA261 4.1 14.3 1.0 CG C:ASP213 4.2 23.2 1.0 O C:HOH376 4.3 26.4 1.0 O1B C:GDP3 4.5 11.6 1.0 O3' D:GDP4 4.8 14.5 1.0 C C:THR260 4.8 15.7 1.0 OD1 C:ASP213 4.9 17.5 1.0 O3A C:GDP3 4.9 15.4 1.0 N C:ALA261 4.9 13.1 1.0 OG1 C:THR189 4.9 18.4 1.0 C C:GLY262 5.0 21.6 1.0

Fluorine binding site 9 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ C:F368 b:16.6 occ:1.00 F3 C:AF3368 0.0 16.6 1.0 AL C:AF3368 1.6 27.8 1.0 O C:HOH372 2.4 22.2 1.0 NE C:ARG216 2.7 32.0 1.0 O3B C:GDP3 2.7 20.9 1.0 F1 C:AF3368 2.8 42.0 1.0 F2 C:AF3368 2.9 15.6 1.0 O D:HOH33 2.9 15.6 1.0 O C:HOH57 3.3 18.4 1.0 CZ C:ARG216 3.4 31.4 1.0 NH2 C:ARG216 3.5 34.0 1.0 CD C:ARG216 3.5 14.7 1.0 MG C:MG367 3.6 23.1 1.0 CG C:ARG216 3.6 21.7 1.0 O3' D:GDP4 3.8 14.5 1.0 PB C:GDP3 3.8 10.0 1.0 O3A C:GDP3 4.0 15.4 1.0 C3' D:GDP4 4.2 16.0 1.0 O2B C:GDP3 4.2 6.9 1.0 OD2 C:ASP213 4.2 24.6 1.0 C4' D:GDP4 4.3 17.1 1.0 CB C:ARG216 4.4 14.7 1.0 C5' D:GDP4 4.6 14.0 1.0 NH1 C:ARG216 4.6 20.2 1.0 O2A C:GDP3 4.8 15.5 1.0 N C:GLY185 4.8 16.8 1.0 O C:HOH373 5.0 14.8 1.0

Fluorine binding site 10 out of 12 in the Crystal Structure of Flhf in Complex with Its Activator


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Flhf in Complex with Its Activator within 5.0Å range: probe atom residue distance (Å) B Occ D:F368 b:31.7 occ:1.00 F1 D:AF3368 0.0 31.7 1.0 AL D:AF3368 1.6 15.9 1.0 O3' C:GDP3 2.2 12.1 1.0 O D:HOH372 2.7 22.6 1.0 F3 D:AF3368 2.8 23.0 1.0 F2 D:AF3368 2.8 13.6 1.0 C3' C:GDP3 3.1 9.7 1.0 O3B D:GDP4 3.3 13.7 1.0 C4' C:GDP3 3.3 16.9 1.0 O D:HOH13 3.4 6.4 1.0 N D:GLY185 3.7 14.3 1.0 CA D:THR184 4.0 23.5 1.0 CB D:THR184 4.0 20.5 1.0 C5' C:GDP3 4.3 11.1 1.0 C D:THR184 4.3 18.6 1.0 NE D:ARG216 4.3 33.2 1.0 O4' C:GDP3 4.4 21.9 1.0 C2' C:GDP3 4.4 9.6 1.0 OE1 C:GLN346 4.4 20.7 1.0 CD D:ARG216 4.5 15.2 1.0 C1' C:GDP3 4.6 12.9 1.0 CA D:GLY185 4.6 14.0 1.0 N D:GLY262 4.6 13.2 1.0 CG D:ARG216 4.6 20.9 1.0 CB D:ARG216 4.6 14.1 1.0 CA D:GLY262 4.7 15.0 1.0 MG D:MG367 4.7 4.2 1.0 PB D:GDP4 4.8 8.9 1.0 O2' C:GDP3 4.8 11.6 1.0 O D:GLY262 4.8 23.3 1.0 OG1 D:THR184 4.9 21.6 1.0

G.Bange, N.Kummerer, P.Grudnik, R.Lindner, G.Petzold, D.Kressler, E.Hurt, K.Wild, I.Sinning. Structural Basis For the Molecular Evolution of Srp-Gtpase Activation By Protein. Nat.Struct.Mol.Biol. V. 18 1376 2011.
ISSN: ISSN 1545-9993
PubMed: 22056770
DOI: 10.1038/NSMB.2141