Fluorine in PDB 4iga: The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim

The structure of The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim, PDB code: 4iga was solved by D.R Ahn, S.Y.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.73
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	52.802, 92.802, 31.596, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 27.6

The structure of The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim (pdb code 4iga). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim, PDB code: 4iga:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:9.0 occ:1.00 F1 A:BEF201 0.0 9.0 1.0 BE A:BEF201 1.4 15.8 1.0 F3 A:BEF201 2.6 10.1 1.0 F2 A:BEF201 2.7 6.0 1.0 N A:ALA83 2.7 26.8 1.0 OD1 A:ASP54 2.8 28.1 1.0 NZ A:LYS104 2.9 25.0 1.0 CA A:SER82 3.4 22.3 1.0 CD A:LYS104 3.4 29.9 1.0 C A:SER82 3.5 25.5 1.0 CE A:LYS104 3.5 26.9 1.0 CB A:ALA83 3.5 35.0 1.0 CA A:ALA83 3.7 33.2 1.0 OG A:SER82 3.8 22.8 1.0 CG A:ASP54 3.9 23.6 1.0 CB A:SER82 4.1 20.8 1.0 O A:HOH334 4.1 8.0 1.0 OD2 A:ASP54 4.3 26.9 1.0 MG A:MG200 4.3 6.8 1.0 O A:CYS81 4.4 18.0 1.0 CG A:LYS104 4.5 30.3 1.0 N A:SER82 4.5 21.1 1.0 O A:SER82 4.7 26.7 1.0 N A:MET84 4.7 29.7 1.0 C A:ALA83 4.8 32.8 1.0 O A:HOH376 4.9 14.1 1.0 O A:HOH322 4.9 5.3 1.0 C A:CYS81 4.9 19.7 1.0

Fluorine binding site 2 out of 3 in the The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:6.0 occ:1.00 F2 A:BEF201 0.0 6.0 1.0 BE A:BEF201 1.6 15.8 1.0 OD1 A:ASP54 2.5 28.1 1.0 F3 A:BEF201 2.5 10.1 1.0 OG A:SER82 2.6 22.8 1.0 F1 A:BEF201 2.7 9.0 1.0 N A:THR56 2.8 25.7 1.0 N A:ILE55 3.0 20.3 1.0 CA A:ILE55 3.4 21.2 1.0 CB A:SER82 3.4 20.8 1.0 CG A:ASP54 3.4 23.6 1.0 CB A:ILE55 3.5 20.9 1.0 OG1 A:THR56 3.5 32.3 1.0 C A:ILE55 3.5 24.4 1.0 CB A:THR56 3.6 31.0 1.0 CA A:THR56 3.8 29.1 1.0 CA A:SER82 3.8 22.3 1.0 OD2 A:ASP54 3.9 26.9 1.0 N A:ALA83 3.9 26.8 1.0 C A:ASP54 4.1 18.5 1.0 MG A:MG200 4.2 6.8 1.0 CG A:MET84 4.3 36.6 1.0 C A:SER82 4.4 25.5 1.0 O A:THR56 4.4 29.6 1.0 CA A:ASP54 4.5 16.3 1.0 N A:MET84 4.5 29.7 1.0 CG1 A:ILE55 4.5 19.0 1.0 CG2 A:ILE55 4.5 24.8 1.0 CB A:ASP54 4.5 18.4 1.0 C A:THR56 4.5 30.2 1.0 CB A:MET84 4.7 29.6 1.0 O A:ILE55 4.8 29.1 1.0 CA A:ALA83 4.9 33.2 1.0 CB A:ALA83 5.0 35.0 1.0 O A:CYS81 5.0 18.0 1.0

Fluorine binding site 3 out of 3 in the The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Crystal Structure of An Activated Thermotoga Maritima Chey with N- Terminal Region of Flim within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:10.1 occ:1.00 F3 A:BEF201 0.0 10.1 1.0 BE A:BEF201 1.5 15.8 1.0 MG A:MG200 2.0 6.8 1.0 F2 A:BEF201 2.5 6.0 1.0 OD1 A:ASP54 2.6 28.1 1.0 F1 A:BEF201 2.6 9.0 1.0 O A:HOH322 2.7 5.3 1.0 OD2 A:ASP54 2.7 26.9 1.0 O A:HOH334 2.8 8.0 1.0 CG A:ASP54 3.0 23.6 1.0 O A:THR56 3.2 29.6 1.0 CB A:THR56 3.4 31.0 1.0 N A:THR56 3.6 25.7 1.0 CA A:THR56 3.8 29.1 1.0 C A:THR56 3.9 30.2 1.0 OG1 A:THR56 4.1 32.3 1.0 OD1 A:ASP10 4.2 33.9 1.0 NZ A:LYS104 4.3 25.0 1.0 CG2 A:THR56 4.5 36.6 1.0 CB A:ASP54 4.5 18.4 1.0 O A:HOH342 4.6 22.0 1.0 N A:ILE55 4.6 20.3 1.0 C A:ILE55 4.7 24.4 1.0 OG A:SER82 5.0 22.8 1.0

D.R.Ahn, H.Song, J.Kim, S.Lee, S.Y.Park. The Crystal Structure of An Activated Thermotoga Maritima Chey with N-Terminal Region of Flim. Int.J.Biol.Macromol. V. 54 76 2013.
ISSN: ISSN 0141-8130
PubMed: 23237794
DOI: 10.1016/J.IJBIOMAC.2012.12.003