Fluorine in PDB 1grn: Crystal Structure of the CDC42/CDC42GAP/ALF3 Complex.

The structure of Crystal Structure of the CDC42/CDC42GAP/ALF3 Complex., PDB code: 1grn was solved by N.Nassar, G.R.Hoffman, J.C.Clardy, R.A.Cerione, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.400, 69.000, 129.600, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.9

The structure of Crystal Structure of the CDC42/CDC42GAP/ALF3 Complex. 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 CDC42/CDC42GAP/ALF3 Complex. (pdb code 1grn). 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 CDC42/CDC42GAP/ALF3 Complex., PDB code: 1grn:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the CDC42/CDC42GAP/ALF3 Complex.


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 CDC42/CDC42GAP/ALF3 Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:24.9 occ:1.00 F1 A:AF3200 0.0 24.9 1.0 AL A:AF3200 1.9 28.1 1.0 NE B:ARG305 2.5 23.9 1.0 O3B A:GDP198 2.6 20.3 1.0 NE2 A:GLN61 2.8 19.0 1.0 O A:HOH526 3.0 6.1 1.0 NH2 B:ARG305 3.1 23.0 1.0 F3 A:AF3200 3.2 23.7 1.0 CZ B:ARG305 3.2 24.7 1.0 F2 A:AF3200 3.2 21.5 1.0 N A:ALA13 3.2 24.2 1.0 CA A:GLY12 3.4 21.5 1.0 CG B:ARG305 3.4 21.9 1.0 CD B:ARG305 3.5 19.6 1.0 C A:GLY12 3.7 22.6 1.0 CB A:PRO34 3.7 22.5 1.0 CD A:GLN61 3.8 25.1 1.0 CA A:PRO34 3.9 24.8 1.0 OE1 A:GLN61 4.0 21.5 1.0 PB A:GDP198 4.1 21.3 1.0 CA A:ALA13 4.2 22.5 1.0 NH1 B:ARG305 4.5 25.0 1.0 N A:THR35 4.7 25.9 1.0 O2B A:GDP198 4.7 15.5 1.0 CB A:ALA13 4.7 15.7 1.0 N A:GLY12 4.7 23.3 1.0 O A:GLY12 4.8 18.8 1.0 O B:ARG305 4.8 27.0 1.0 O1B A:GDP198 4.8 20.2 1.0 C A:PRO34 4.8 26.5 1.0 N A:PRO34 4.9 28.3 1.0 CB B:ARG305 4.9 25.6 1.0 O3A A:GDP198 4.9 23.7 1.0 MG A:MG199 5.0 20.1 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the CDC42/CDC42GAP/ALF3 Complex.


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 CDC42/CDC42GAP/ALF3 Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:21.5 occ:1.00 F2 A:AF3200 0.0 21.5 1.0 AL A:AF3200 1.9 28.1 1.0 NZ A:LYS16 2.6 10.8 1.0 N A:GLY60 2.6 26.0 1.0 O A:HOH526 3.1 6.1 1.0 O3B A:GDP198 3.2 20.3 1.0 F3 A:AF3200 3.2 23.7 1.0 F1 A:AF3200 3.2 24.9 1.0 CE A:LYS16 3.3 14.1 1.0 CA A:GLY12 3.3 21.5 1.0 CA A:GLY60 3.3 26.7 1.0 C A:ALA59 3.7 24.0 1.0 O1B A:GDP198 3.8 20.2 1.0 CA A:ALA59 3.9 23.8 1.0 O A:THR58 3.9 26.9 1.0 N A:GLY12 3.9 23.3 1.0 PB A:GDP198 3.9 21.3 1.0 OE1 A:GLN61 4.1 21.5 1.0 O A:HOH527 4.1 21.5 1.0 O A:ASP11 4.1 23.5 1.0 NE2 A:GLN61 4.1 19.0 1.0 C A:ASP11 4.2 23.9 1.0 N A:ALA13 4.2 24.2 1.0 O A:GLY10 4.3 16.2 1.0 C A:GLY12 4.3 22.6 1.0 O2B A:GDP198 4.4 15.5 1.0 C A:GLY60 4.4 27.1 1.0 CD A:GLN61 4.4 25.1 1.0 N A:GLN61 4.5 25.2 1.0 MG A:MG199 4.6 20.1 1.0 C A:THR58 4.7 22.6 1.0 CD A:LYS16 4.7 13.5 1.0 N A:ALA59 4.8 22.7 1.0 O A:ALA59 4.8 23.9 1.0 CB A:ALA59 4.9 23.3 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the CDC42/CDC42GAP/ALF3 Complex.


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 CDC42/CDC42GAP/ALF3 Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:F200 b:23.7 occ:1.00 F3 A:AF3200 0.0 23.7 1.0 AL A:AF3200 1.8 28.1 1.0 MG A:MG199 2.0 20.1 1.0 N A:THR35 2.6 25.9 1.0 O A:HOH526 2.6 6.1 1.0 O3B A:GDP198 2.8 20.3 1.0 O2B A:GDP198 2.8 15.5 1.0 O A:HOH545 3.0 19.0 1.0 O A:HOH527 3.2 21.5 1.0 F2 A:AF3200 3.2 21.5 1.0 CB A:THR35 3.2 25.4 1.0 F1 A:AF3200 3.2 24.9 1.0 OG1 A:THR35 3.3 26.0 1.0 PB A:GDP198 3.4 21.3 1.0 CA A:THR35 3.4 22.8 1.0 C A:PRO34 3.5 26.5 1.0 CA A:PRO34 3.5 24.8 1.0 NH2 B:ARG305 3.7 23.0 1.0 O A:THR35 3.9 14.8 1.0 OG1 A:THR17 4.1 14.9 1.0 C A:THR35 4.1 19.1 1.0 O1B A:GDP198 4.3 20.2 1.0 O A:THR58 4.3 26.9 1.0 CB A:PRO34 4.3 22.5 1.0 O A:VAL33 4.5 29.2 1.0 O3A A:GDP198 4.6 23.7 1.0 CZ B:ARG305 4.6 24.7 1.0 CG2 A:THR35 4.7 25.8 1.0 O A:PRO34 4.7 22.6 1.0 NE B:ARG305 4.7 23.9 1.0 N A:PRO34 4.7 28.3 1.0 O2A A:GDP198 4.8 17.2 1.0 NZ A:LYS16 4.9 10.8 1.0

N.Nassar, G.R.Hoffman, D.Manor, J.C.Clardy, R.A.Cerione. Structures of CDC42 Bound to the Active and Catalytically Compromised Forms of CDC42GAP. Nat.Struct.Biol. V. 5 1047 1998.
ISSN: ISSN 1072-8368
PubMed: 9846874
DOI: 10.1038/4156