Fluorine in PDB 7ohn: Saftsz Complexed with Gdp, ALF4- and MG2+

The structure of Saftsz Complexed with Gdp, ALF4- and MG2+, PDB code: 7ohn was solved by C.Fernandez-Tornero, F.M.Ruiz, J.M.Andreu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.16 / 1.62
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.141, 52.006, 87.492, 90, 109.79, 90
R / Rfree (%)	16 / 20.1

The structure of Saftsz Complexed with Gdp, ALF4- and MG2+ also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Saftsz Complexed with Gdp, ALF4- and MG2+ (pdb code 7ohn). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Saftsz Complexed with Gdp, ALF4- and MG2+, PDB code: 7ohn:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Saftsz Complexed with Gdp, ALF4- and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Saftsz Complexed with Gdp, ALF4- and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F403 b:19.8 occ:0.76 F1 A:ALF403 0.0 19.8 0.8 AL A:ALF403 1.8 17.3 0.8 MG A:MG404 2.0 17.0 0.7 F4 A:ALF403 2.5 16.2 0.8 F3 A:ALF403 2.6 20.8 0.8 O2B A:GDP401 2.7 17.2 1.0 O A:HOH631 2.8 21.5 1.0 O A:HOH556 2.8 19.5 1.0 O1B A:GDP401 3.0 16.4 1.0 PB A:GDP401 3.2 16.4 1.0 F2 A:ALF403 3.5 20.5 0.8 HA3 A:GLY70 3.7 30.6 1.0 O3A A:GDP401 3.7 16.7 1.0 O A:HOH628 4.0 22.0 1.0 H A:ALA71 4.1 21.9 1.0 HG1 A:THR109 4.3 22.3 1.0 O1A A:GDP401 4.5 17.4 1.0 H A:GLY72 4.5 22.5 1.0 O A:HOH685 4.6 33.3 1.0 CA A:GLY70 4.6 25.5 1.0 O3B A:GDP401 4.6 19.1 1.0 H A:GLY108 4.7 23.1 1.0 H A:THR109 4.7 20.6 1.0 H A:GLY21 4.8 20.0 1.0 PA A:GDP401 4.8 17.1 1.0 N A:ALA71 4.8 18.2 1.0 HB2 A:ASP46 4.8 22.9 1.0 HA2 A:GLY70 4.8 30.6 1.0 HB A:THR109 4.8 17.4 1.0 H A:ALA73 4.9 21.5 1.0 OG1 A:THR109 4.9 18.6 1.0

Fluorine binding site 2 out of 4 in the Saftsz Complexed with Gdp, ALF4- and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Saftsz Complexed with Gdp, ALF4- and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F403 b:20.5 occ:0.76 F2 A:ALF403 0.0 20.5 0.8 AL A:ALF403 1.8 17.3 0.8 H A:ALA73 1.9 21.5 1.0 H A:GLY108 2.0 23.1 1.0 F3 A:ALF403 2.4 20.8 0.8 HB2 A:ALA71 2.6 24.0 1.0 F4 A:ALF403 2.6 16.2 0.8 O2B A:GDP401 2.6 17.2 1.0 HA3 A:GLY108 2.7 24.0 1.0 N A:ALA73 2.7 17.9 1.0 N A:GLY108 2.7 19.2 1.0 HA A:ALA73 2.9 25.7 1.0 H A:THR109 3.1 20.6 1.0 H A:GLY72 3.1 22.5 1.0 CA A:GLY108 3.1 20.0 1.0 H A:ALA71 3.2 21.9 1.0 N A:GLY72 3.2 18.7 1.0 CA A:ALA73 3.3 21.4 1.0 CB A:ALA71 3.5 20.0 1.0 C A:ALA71 3.5 15.7 1.0 F1 A:ALF403 3.5 19.8 0.8 HG1 A:THR109 3.6 22.3 1.0 N A:THR109 3.7 17.1 1.0 C A:GLY72 3.7 19.7 1.0 N A:ALA71 3.7 18.2 1.0 CA A:ALA71 3.8 16.6 1.0 H A:ASN74 3.9 20.8 1.0 C A:GLY107 3.9 16.0 1.0 C A:GLY108 3.9 20.8 1.0 HB3 A:ALA71 3.9 24.0 1.0 CA A:GLY72 3.9 22.3 1.0 HA3 A:GLY107 3.9 20.8 1.0 HA2 A:GLY108 4.0 24.0 1.0 HB1 A:ALA71 4.1 24.0 1.0 PB A:GDP401 4.1 16.4 1.0 HA2 A:GLY72 4.1 26.8 1.0 HA2 A:GLY107 4.2 20.8 1.0 O A:ALA71 4.2 19.3 1.0 CA A:GLY107 4.2 17.3 1.0 C A:ALA73 4.3 20.5 1.0 N A:ASN74 4.3 17.3 1.0 HB2 A:ALA73 4.4 26.0 1.0 OG1 A:THR109 4.4 18.6 1.0 CB A:ALA73 4.5 21.7 1.0 O3A A:GDP401 4.7 16.7 1.0 HA A:ALA71 4.7 19.9 1.0 HA3 A:GLY70 4.7 30.6 1.0 HB A:THR109 4.8 17.4 1.0 HA3 A:GLY72 4.8 26.8 1.0 O3B A:GDP401 4.8 19.1 1.0 C A:GLY70 4.9 22.7 1.0 O A:GLY72 4.9 19.7 1.0 CA A:THR109 4.9 17.4 1.0 O1B A:GDP401 4.9 16.4 1.0 O A:GLY107 4.9 16.6 1.0 CB A:THR109 5.0 14.5 1.0

Fluorine binding site 3 out of 4 in the Saftsz Complexed with Gdp, ALF4- and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Saftsz Complexed with Gdp, ALF4- and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F403 b:20.8 occ:0.76 F3 A:ALF403 0.0 20.8 0.8 AL A:ALF403 1.8 17.3 0.8 F2 A:ALF403 2.4 20.5 0.8 F1 A:ALF403 2.6 19.8 0.8 O2B A:GDP401 2.7 17.2 1.0 H A:ALA73 3.2 21.5 1.0 H A:GLY108 3.2 23.1 1.0 HH22 A:ARG143 3.5 40.6 1.0 O3A A:GDP401 3.5 16.7 1.0 F4 A:ALF403 3.6 16.2 0.8 HA3 A:GLY107 3.6 20.8 1.0 PB A:GDP401 3.7 16.4 1.0 HA A:ALA73 3.8 25.7 1.0 N A:ALA73 3.8 17.9 1.0 HA2 A:GLY107 3.9 20.8 1.0 O A:HOH685 4.0 33.3 1.0 N A:GLY108 4.0 19.2 1.0 HH12 A:ARG143 4.1 38.1 1.0 CA A:GLY107 4.2 17.3 1.0 HB2 A:ALA73 4.2 26.0 1.0 H A:GLY72 4.2 22.5 1.0 NH2 A:ARG143 4.3 33.8 1.0 CA A:ALA73 4.3 21.4 1.0 MG A:MG404 4.4 17.0 0.7 O1B A:GDP401 4.4 16.4 1.0 O A:HOH556 4.5 19.5 1.0 H A:THR109 4.5 20.6 1.0 HA2 A:GLY72 4.6 26.8 1.0 N A:GLY72 4.6 18.7 1.0 C A:GLY107 4.6 16.0 1.0 C A:GLY72 4.7 19.7 1.0 HH21 A:ARG143 4.7 40.6 1.0 CB A:ALA73 4.8 21.7 1.0 NH1 A:ARG143 4.8 31.8 1.0 H A:ALA71 4.8 21.9 1.0 PA A:GDP401 4.8 17.1 1.0 O3B A:GDP401 4.9 19.1 1.0 HA3 A:GLY108 4.9 24.0 1.0 CA A:GLY72 4.9 22.3 1.0 HB2 A:ALA71 4.9 24.0 1.0 CZ A:ARG143 5.0 26.6 1.0 O1A A:GDP401 5.0 17.4 1.0

Fluorine binding site 4 out of 4 in the Saftsz Complexed with Gdp, ALF4- and MG2+


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Saftsz Complexed with Gdp, ALF4- and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F403 b:16.2 occ:0.76 F4 A:ALF403 0.0 16.2 0.8 AL A:ALF403 1.8 17.3 0.8 H A:ALA71 1.9 21.9 1.0 HG1 A:THR109 2.0 22.3 1.0 F1 A:ALF403 2.5 19.8 0.8 F2 A:ALF403 2.6 20.5 0.8 O2B A:GDP401 2.6 17.2 1.0 O A:HOH631 2.7 21.5 1.0 OG1 A:THR109 2.7 18.6 1.0 N A:ALA71 2.7 18.2 1.0 HA3 A:GLY70 2.9 30.6 1.0 HB2 A:ALA71 2.9 24.0 1.0 H A:THR109 3.2 20.6 1.0 HA2 A:GLY70 3.4 30.6 1.0 CA A:GLY70 3.4 25.5 1.0 HB A:THR109 3.5 17.4 1.0 H A:GLY72 3.5 22.5 1.0 CB A:ALA71 3.5 20.0 1.0 MG A:MG404 3.6 17.0 0.7 F3 A:ALF403 3.6 20.8 0.8 C A:GLY70 3.6 22.7 1.0 CB A:THR109 3.6 14.5 1.0 O1B A:GDP401 3.6 16.4 1.0 HB1 A:ALA71 3.6 24.0 1.0 CA A:ALA71 3.6 16.6 1.0 HG1 A:THR45 3.7 23.3 1.0 PB A:GDP401 3.7 16.4 1.0 OG1 A:THR45 3.7 19.4 1.0 N A:THR109 3.8 17.1 1.0 H A:GLY108 3.9 23.1 1.0 N A:GLY72 4.1 18.7 1.0 H A:ALA73 4.2 21.5 1.0 C A:ALA71 4.3 15.7 1.0 CA A:THR109 4.3 17.4 1.0 HA3 A:GLY108 4.4 24.0 1.0 HB3 A:ALA71 4.4 24.0 1.0 HA A:ALA71 4.5 19.9 1.0 O3B A:GDP401 4.5 19.1 1.0 N A:GLY108 4.6 19.2 1.0 C A:GLY108 4.7 20.8 1.0 HB2 A:ASP46 4.7 22.9 1.0 HA A:THR109 4.8 20.9 1.0 CA A:GLY108 4.8 20.0 1.0 O A:GLY70 4.8 24.1 1.0 N A:GLY70 4.8 33.6 1.0 HG21 A:THR109 4.8 19.6 1.0 OD1 A:ASN44 4.8 18.5 1.0 O3A A:GDP401 4.9 16.7 1.0 CG2 A:THR109 4.9 16.3 1.0

F.M.Ruiz, S.Huecas, A.Santos-Aledo, E.A.Prim, J.M.Andreu, C.Fernandez-Tornero. Ftsz Filament Structures in Different Nucleotide States Reveal the Mechanism of Assembly Dynamics. Plos Biol. V. 20 01497 2022.
ISSN: ESSN 1545-7885
PubMed: 35312677
DOI: 10.1371/JOURNAL.PBIO.3001497