Fluorine in PDB 1g6u: Crystal Structure of A Domain Swapped Dimer

The structure of Crystal Structure of A Domain Swapped Dimer, PDB code: 1g6u was solved by N.L.Ogihara, G.Ghirlanda, J.W.Bryson, M.Gingery, W.F.Degrado, D.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.48
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	64.040, 64.040, 64.040, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.1

The binding sites of Fluorine atom in the Crystal Structure of A Domain Swapped Dimer (pdb code 1g6u). 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 A Domain Swapped Dimer, PDB code: 1g6u:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of A Domain Swapped Dimer


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 A Domain Swapped Dimer within 5.0Å range: probe atom residue distance (Å) B Occ B:F200 b:39.2 occ:1.00 F1 B:TFA200 0.0 39.2 1.0 C2 B:TFA200 1.3 38.9 1.0 F2 B:TFA200 2.1 40.6 1.0 F3 B:TFA200 2.1 35.1 1.0 C1 B:TFA200 2.5 39.6 1.0 N B:LEU2 2.7 25.0 1.0 OXT B:TFA200 3.0 40.9 1.0 CB A:LEU2 3.2 18.2 1.0 O B:TFA200 3.4 40.3 1.0 CB B:SER1 3.4 27.9 1.0 C B:SER1 3.4 26.0 1.0 CA B:SER1 3.5 26.7 1.0 CG B:LEU2 3.7 22.7 1.0 CA B:LEU2 3.7 24.4 1.0 CB B:LEU2 3.7 23.1 1.0 CD2 A:LEU2 3.8 23.6 1.0 N A:LEU2 3.8 14.2 1.0 N B:ALA3 4.1 23.2 1.0 CA A:LEU2 4.1 14.4 1.0 CG A:LEU2 4.1 22.3 1.0 CD1 B:LEU2 4.2 22.1 1.0 OG B:SER1 4.2 27.5 1.0 N A:ALA3 4.4 12.3 1.0 C B:LEU2 4.5 23.8 1.0 O B:SER1 4.6 25.9 1.0 C A:LEU2 4.8 13.9 1.0 CB A:SER1 4.9 16.2 1.0 N B:SER1 4.9 27.7 1.0 C A:SER1 5.0 15.1 1.0 CD2 B:LEU2 5.0 22.9 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of A Domain Swapped Dimer


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 A Domain Swapped Dimer within 5.0Å range: probe atom residue distance (Å) B Occ B:F200 b:40.6 occ:1.00 F2 B:TFA200 0.0 40.6 1.0 C2 B:TFA200 1.3 38.9 1.0 F1 B:TFA200 2.1 39.2 1.0 F3 B:TFA200 2.2 35.1 1.0 C1 B:TFA200 2.3 39.6 1.0 O B:TFA200 2.6 40.3 1.0 CB B:SER1 2.8 27.9 1.0 OG B:SER1 3.1 27.5 1.0 N B:LEU2 3.3 25.0 1.0 N B:ALA3 3.3 23.2 1.0 OXT B:TFA200 3.4 40.9 1.0 CB B:ALA3 3.7 23.3 1.0 CA B:SER1 3.7 26.7 1.0 C B:SER1 3.7 26.0 1.0 CA B:ALA3 4.1 22.5 1.0 CA B:LEU2 4.2 24.4 1.0 C B:LEU2 4.3 23.8 1.0 CB B:LEU2 4.5 23.1 1.0 CB A:SER1 4.7 16.2 1.0 O B:SER1 4.7 25.9 1.0 N B:ALA4 4.8 19.2 1.0 N A:LEU2 4.9 14.2 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of A Domain Swapped Dimer


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 A Domain Swapped Dimer within 5.0Å range: probe atom residue distance (Å) B Occ B:F200 b:35.1 occ:1.00 F3 B:TFA200 0.0 35.1 1.0 C2 B:TFA200 1.4 38.9 1.0 F1 B:TFA200 2.1 39.2 1.0 F2 B:TFA200 2.2 40.6 1.0 C1 B:TFA200 2.6 39.6 1.0 OXT B:TFA200 3.1 40.9 1.0 N A:ALA3 3.2 12.3 1.0 N A:LEU2 3.3 14.2 1.0 CB A:SER1 3.4 16.2 1.0 O B:TFA200 3.6 40.3 1.0 CB A:LEU2 3.8 18.2 1.0 CB A:ALA3 3.8 13.2 1.0 CA A:LEU2 3.9 14.4 1.0 OG A:SER1 4.0 15.9 1.0 CB B:SER1 4.0 27.9 1.0 C A:LEU2 4.1 13.9 1.0 C A:SER1 4.1 15.1 1.0 CA A:ALA3 4.1 11.6 1.0 CA A:SER1 4.2 15.3 1.0 N B:LEU2 4.6 25.0 1.0 CA B:SER1 4.8 26.7 1.0 OG B:SER1 4.8 27.5 1.0 CG A:LEU2 4.8 22.3 1.0

N.L.Ogihara, G.Ghirlanda, J.W.Bryson, M.Gingery, W.F.Degrado, D.Eisenberg. Design of Three-Dimensional Domain-Swapped Dimers and Fibrous Oligomers. Proc.Natl.Acad.Sci.Usa V. 98 1404 2001.
ISSN: ISSN 0027-8424
PubMed: 11171963
DOI: 10.1073/PNAS.98.4.1404