Fluorine in PDB 1g4u: Crystal Structure of the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1

The structure of Crystal Structure of the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1, PDB code: 1g4u was solved by C.E.Stebbins, J.E.Galan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	56.722, 58.260, 60.324, 70.03, 69.51, 65.03
R / Rfree (%)	20.4 / 25.8

The structure of Crystal Structure of the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1 also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Aluminium	(Al)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1 (pdb code 1g4u). 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 the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1, PDB code: 1g4u:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1


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 the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1 within 5.0Å range: probe atom residue distance (Å) B Occ R:F1002 b:28.1 occ:1.00 F1 R:AF31002 0.0 28.1 1.0 AL R:AF31002 1.7 32.1 1.0 MG R:MG1001 2.4 19.1 1.0 O R:HOH1071 2.7 23.6 1.0 F3 R:AF31002 2.7 25.2 1.0 O3B R:GDP1000 3.0 12.0 1.0 F2 R:AF31002 3.1 24.0 1.0 O R:HOH1072 3.3 20.6 1.0 O2B R:GDP1000 3.5 15.2 1.0 O R:HOH1003 3.6 13.2 1.0 CB R:THR35 3.7 19.9 1.0 PB R:GDP1000 3.8 18.1 1.0 N R:THR35 3.8 19.2 1.0 O R:HOH1073 3.9 15.0 1.0 O R:THR35 4.0 19.7 1.0 OG1 R:THR35 4.1 24.1 1.0 O R:THR58 4.2 15.4 1.0 CA R:THR35 4.2 21.1 1.0 NH2 S:ARG209 4.4 11.8 1.0 O1B R:GDP1000 4.5 16.2 1.0 C R:THR35 4.6 24.8 1.0 NZ R:LYS16 4.6 11.7 1.0 CG2 R:THR35 4.8 16.8 1.0 OE1 R:GLN61 4.8 14.2 1.0 CA R:ALA59 4.9 21.8 1.0 OG1 R:THR17 4.9 16.2 1.0 N R:GLY60 5.0 19.5 1.0 O3A R:GDP1000 5.0 16.9 1.0 C R:PRO34 5.0 18.8 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1


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 the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1 within 5.0Å range: probe atom residue distance (Å) B Occ R:F1002 b:24.0 occ:1.00 F2 R:AF31002 0.0 24.0 1.0 AL R:AF31002 1.7 32.1 1.0 NZ R:LYS16 2.5 11.7 1.0 N R:GLY60 2.9 19.5 1.0 F3 R:AF31002 2.9 25.2 1.0 F1 R:AF31002 3.1 28.1 1.0 CA R:GLY12 3.3 14.4 1.0 CA R:GLY60 3.4 19.1 1.0 O3B R:GDP1000 3.6 12.0 1.0 CE R:LYS16 3.7 14.8 1.0 N R:GLY12 3.9 18.4 1.0 C R:ALA59 3.9 18.6 1.0 O R:HOH1071 3.9 23.6 1.0 O R:ASP11 4.0 19.1 1.0 O1B R:GDP1000 4.0 16.2 1.0 O R:THR58 4.1 15.4 1.0 N R:ALA13 4.1 16.2 1.0 O R:GLY10 4.2 14.4 1.0 CA R:ALA59 4.2 21.8 1.0 C R:ASP11 4.2 18.4 1.0 PB R:GDP1000 4.3 18.1 1.0 O R:HOH1072 4.3 20.6 1.0 C R:GLY12 4.3 19.0 1.0 OE1 R:GLN61 4.4 14.2 1.0 C R:GLY60 4.5 17.7 1.0 NE2 R:GLN61 4.6 14.4 1.0 N R:GLN61 4.7 16.7 1.0 O2B R:GDP1000 4.8 15.2 1.0 CD R:GLN61 4.8 18.3 1.0 MG R:MG1001 4.8 19.1 1.0 CD R:LYS16 4.9 12.8 1.0 C R:THR58 4.9 19.7 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1


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 the Salmonella Tyrosine Phosphatase and Gtpase Activating Protein Sptp Bound to RAC1 within 5.0Å range: probe atom residue distance (Å) B Occ R:F1002 b:25.2 occ:1.00 F3 R:AF31002 0.0 25.2 1.0 AL R:AF31002 1.6 32.1 1.0 F1 R:AF31002 2.7 28.1 1.0 NE S:ARG209 2.9 16.2 1.0 F2 R:AF31002 2.9 24.0 1.0 O3B R:GDP1000 3.0 12.0 1.0 NE2 R:GLN61 3.0 14.4 1.0 O R:HOH1003 3.4 13.2 1.0 CA R:GLY12 3.5 14.4 1.0 O R:HOH1071 3.5 23.6 1.0 N R:ALA13 3.5 16.2 1.0 NH2 S:ARG209 3.5 11.8 1.0 CZ S:ARG209 3.6 15.8 1.0 OE1 R:GLN61 3.8 14.2 1.0 CD S:ARG209 3.8 17.4 1.0 CD R:GLN61 3.8 18.3 1.0 C R:GLY12 3.9 19.0 1.0 CG S:ARG209 4.3 19.5 1.0 PB R:GDP1000 4.4 18.1 1.0 CA R:ALA13 4.5 16.1 1.0 OG1 S:THR213 4.7 17.8 1.0 N R:GLY12 4.8 18.4 1.0 NH1 S:ARG209 4.8 18.8 1.0 MG R:MG1001 4.9 19.1 1.0 O R:GLY12 4.9 6.3 1.0 O1B R:GDP1000 4.9 16.2 1.0 N R:GLY60 4.9 19.5 1.0 O2B R:GDP1000 5.0 15.2 1.0

C.E.Stebbins, J.E.Galan. Modulation of Host Signaling By A Bacterial Mimic: Structure of the Salmonella Effector Sptp Bound to RAC1. Mol.Cell V. 6 1449 2000.
ISSN: ISSN 1097-2765
PubMed: 11163217
DOI: 10.1016/S1097-2765(00)00141-6