Fluorine in PDB 1w70: SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX

The structure of SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX, PDB code: 1w70 was solved by C.Massenet, S.Chenavas, C.Cohen-Addad, M.-C.Dagher, G.Brandolin, E.Pebay-Peyroula, F.Fieschi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.70 / 1.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.640, 50.490, 68.180, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 20.7

The binding sites of Fluorine atom in the SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX (pdb code 1w70). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX, PDB code: 1w70:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX within 5.0Å range: probe atom residue distance (Å) B Occ B:F1232 b:22.8 occ:0.80 F1 B:TFA1232 0.0 22.8 0.8 C2 B:TFA1232 1.3 21.1 0.8 F2 B:TFA1232 2.1 21.7 0.8 F3 B:TFA1232 2.1 22.8 0.8 C1 B:TFA1232 2.4 19.1 0.8 OXT B:TFA1232 2.7 22.2 0.8 CG1 B:ILE170 3.5 19.1 1.0 O B:TFA1232 3.6 15.9 0.8 CD1 B:ILE170 4.2 17.2 1.0 CB B:ILE170 4.7 16.4 1.0 CA B:ILE170 4.9 14.9 1.0 N B:ILE170 4.9 15.0 1.0

Fluorine binding site 2 out of 6 in the SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX within 5.0Å range: probe atom residue distance (Å) B Occ B:F1232 b:21.7 occ:0.80 F2 B:TFA1232 0.0 21.7 0.8 C2 B:TFA1232 1.3 21.1 0.8 F1 B:TFA1232 2.1 22.8 0.8 F3 B:TFA1232 2.1 22.8 0.8 C1 B:TFA1232 2.3 19.1 0.8 O B:TFA1232 2.8 15.9 0.8 OXT B:TFA1232 3.3 22.2 0.8 CB B:ARG202 3.5 10.8 1.0 N B:ARG202 4.1 10.4 1.0 CD B:ARG202 4.3 12.1 1.0 CA B:ARG202 4.5 9.5 1.0 CG B:ARG202 4.6 10.3 1.0 O B:HOH2089 4.8 27.6 1.0 CG1 B:ILE170 4.9 19.1 1.0

Fluorine binding site 3 out of 6 in the SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX within 5.0Å range: probe atom residue distance (Å) B Occ B:F1232 b:22.8 occ:0.80 F3 B:TFA1232 0.0 22.8 0.8 C2 B:TFA1232 1.4 21.1 0.8 F1 B:TFA1232 2.1 22.8 0.8 F2 B:TFA1232 2.1 21.7 0.8 C1 B:TFA1232 2.5 19.1 0.8 CD1 B:ILE170 3.0 17.2 1.0 CG1 B:ILE170 3.1 19.1 1.0 O B:TFA1232 3.1 15.9 0.8 OXT B:TFA1232 3.4 22.2 0.8 N B:ARG202 3.4 10.4 1.0 CB B:ARG202 3.5 10.8 1.0 C B:SER201 3.9 10.0 1.0 CA B:ARG202 4.0 9.5 1.0 CA B:SER201 4.0 10.1 1.0 CB B:ILE170 4.6 16.4 1.0 O B:SER201 4.7 10.1 1.0 CG B:ARG202 4.8 10.3 1.0 N B:SER201 4.9 10.5 1.0

Fluorine binding site 4 out of 6 in the SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX within 5.0Å range: probe atom residue distance (Å) B Occ B:F1233 b:23.1 occ:0.70 F1 B:TFA1233 0.0 23.1 0.7 C2 B:TFA1233 1.3 23.5 0.7 F2 B:TFA1233 2.1 23.1 0.7 F3 B:TFA1233 2.1 23.0 0.7 C1 B:TFA1233 2.4 23.4 0.7 O B:TFA1233 2.8 25.0 0.7 O B:HOH2090 3.2 29.5 1.0 OXT B:TFA1233 3.5 25.0 0.7 CG2 B:ILE203 3.8 11.7 1.0 CG2 B:ILE218 4.1 10.0 1.0 CD1 B:ILE203 4.2 12.0 1.0 CD1 B:ILE218 4.2 12.0 1.0 CG D:PRO369 4.5 22.0 1.0 CG1 B:ILE203 4.7 11.8 1.0 CB B:ILE203 4.9 11.3 1.0

Fluorine binding site 5 out of 6 in the SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX within 5.0Å range: probe atom residue distance (Å) B Occ B:F1233 b:23.1 occ:0.70 F2 B:TFA1233 0.0 23.1 0.7 C2 B:TFA1233 1.3 23.5 0.7 F1 B:TFA1233 2.1 23.1 0.7 F3 B:TFA1233 2.2 23.0 0.7 C1 B:TFA1233 2.4 23.4 0.7 OXT B:TFA1233 2.7 25.0 0.7 O B:TFA1233 3.4 25.0 0.7 CG2 B:ILE218 3.5 10.0 1.0 CD1 B:ILE218 3.7 12.0 1.0 CB B:LEU187 3.8 15.7 1.0 CD2 B:LEU187 4.0 17.6 1.0 CG1 B:ILE218 4.1 9.9 1.0 CD1 B:LEU187 4.2 19.9 1.0 CG B:LEU187 4.2 16.4 1.0 O B:LEU187 4.4 12.0 1.0 CB B:ILE218 4.4 9.3 1.0 CA B:LEU187 4.9 14.9 1.0 C B:LEU187 4.9 14.0 1.0

Fluorine binding site 6 out of 6 in the SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of SH3 Domain of P40PHOX Complexed with C-Terminal Polyproline Region of P47PHOX within 5.0Å range: probe atom residue distance (Å) B Occ B:F1233 b:23.0 occ:0.70 F3 B:TFA1233 0.0 23.0 0.7 C2 B:TFA1233 1.4 23.5 0.7 F1 B:TFA1233 2.1 23.1 0.7 F2 B:TFA1233 2.2 23.1 0.7 C1 B:TFA1233 2.6 23.4 0.7 OXT B:TFA1233 3.2 25.0 0.7 O B:TFA1233 3.4 25.0 0.7 CD1 B:LEU187 4.3 19.9 1.0 CD2 B:LEU187 4.3 17.6 1.0 O B:HOH2090 4.4 29.5 1.0 CG B:LEU187 4.8 16.4 1.0

C.Massenet, S.Chenavas, C.Cohen-Addad, M.-C.Dagher, G.Brandolin, E.Pebay-Peyroula, F.Fieschi. Effects of P47PHOX C-Terminus Phosphorylation on Binding Interactions with P40PHOX and P67PHOX: Structural and Functional Comparison of P40PHOX P67PHOX SH3 Domains J.Biol.Chem. V. 280 13752 2005.
ISSN: ISSN 0021-9258
PubMed: 15657040
DOI: 10.1074/JBC.M412897200