Fluorine in PDB 7ohk: Saftsz Complexed with Gdp, BEF3- and MG2+

The structure of Saftsz Complexed with Gdp, BEF3- and MG2+, PDB code: 7ohk 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)	41.18 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.583, 52.276, 87.662, 90, 110.05, 90
R / Rfree (%)	16 / 20

The structure of Saftsz Complexed with Gdp, BEF3- and MG2+ also contains other interesting chemical elements:

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

The binding sites of Fluorine atom in the Saftsz Complexed with Gdp, BEF3- and MG2+ (pdb code 7ohk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Saftsz Complexed with Gdp, BEF3- and MG2+, PDB code: 7ohk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Saftsz Complexed with Gdp, BEF3- 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, BEF3- and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:21.7 occ:1.00 F1 A:BEF402 0.0 21.7 1.0 BE A:BEF402 1.5 21.4 1.0 HG1 A:THR109 2.0 23.4 1.0 H A:ALA71 2.1 20.3 1.0 O2B A:GDP401 2.4 20.5 1.0 F3 A:BEF402 2.4 22.1 1.0 F2 A:BEF402 2.5 21.7 1.0 OG1 A:THR109 2.7 19.5 1.0 HB3 A:ALA71 2.8 26.0 1.0 H A:THR109 2.8 21.2 1.0 O A:HOH619 2.9 22.4 1.0 N A:ALA71 2.9 17.0 1.0 HG1 A:THR45 3.2 22.7 1.0 HB A:THR109 3.3 21.5 1.0 HA3 A:GLY70 3.3 21.8 1.0 N A:THR109 3.4 17.7 1.0 CB A:THR109 3.4 17.9 1.0 CB A:ALA71 3.5 21.6 1.0 MG A:MG403 3.5 28.3 0.8 H A:GLY108 3.5 18.6 1.0 PB A:GDP401 3.5 18.1 1.0 O1B A:GDP401 3.6 17.5 1.0 HA2 A:GLY70 3.6 21.8 1.0 CA A:ALA71 3.7 18.1 1.0 HB2 A:ALA71 3.7 26.0 1.0 H A:GLY72 3.7 23.5 1.0 CA A:GLY70 3.8 18.2 1.0 OG1 A:THR45 3.8 18.9 1.0 C A:GLY70 3.8 17.5 1.0 HA3 A:GLY108 3.9 23.0 1.0 CA A:THR109 4.0 15.4 1.0 H A:ALA73 4.1 20.4 1.0 N A:GLY72 4.2 19.5 1.0 N A:GLY108 4.2 15.5 1.0 C A:GLY108 4.2 25.0 1.0 C A:ALA71 4.3 18.5 1.0 CA A:GLY108 4.3 19.1 1.0 HB1 A:ALA71 4.3 26.0 1.0 O3B A:GDP401 4.4 19.3 1.0 O A:HOH626 4.4 26.4 1.0 HA A:THR109 4.5 18.5 1.0 HA A:ALA71 4.5 21.8 1.0 O3A A:GDP401 4.7 18.6 1.0 CG2 A:THR109 4.8 20.1 1.0 HG22 A:THR109 4.8 24.2 1.0 N A:ALA73 4.9 17.0 1.0 HB2 A:ASP46 4.9 25.1 1.0 OD1 A:ASN44 5.0 21.9 1.0 O A:GLY70 5.0 20.8 1.0

Fluorine binding site 2 out of 3 in the Saftsz Complexed with Gdp, BEF3- 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, BEF3- and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:21.7 occ:1.00 F2 A:BEF402 0.0 21.7 1.0 BE A:BEF402 1.6 21.4 1.0 H A:ALA73 2.1 20.4 1.0 H A:GLY108 2.1 18.6 1.0 O2B A:GDP401 2.4 20.5 1.0 F3 A:BEF402 2.5 22.1 1.0 F1 A:BEF402 2.5 21.7 1.0 HA A:ALA73 2.9 21.4 1.0 N A:ALA73 2.9 17.0 1.0 N A:GLY108 2.9 15.5 1.0 HA3 A:GLY108 3.1 23.0 1.0 H A:GLY72 3.3 23.5 1.0 CA A:ALA73 3.4 17.9 1.0 HB3 A:ALA71 3.4 26.0 1.0 H A:THR109 3.4 21.2 1.0 H A:ALA71 3.5 20.3 1.0 CA A:GLY108 3.5 19.1 1.0 N A:GLY72 3.6 19.5 1.0 HA3 A:GLY107 3.8 21.5 1.0 PB A:GDP401 3.9 18.1 1.0 C A:GLY72 3.9 18.3 1.0 C A:ALA71 4.0 18.5 1.0 C A:GLY107 4.0 15.5 1.0 HG1 A:THR109 4.0 23.4 1.0 N A:THR109 4.1 17.7 1.0 HA2 A:GLY107 4.1 21.5 1.0 N A:ALA71 4.1 17.0 1.0 CA A:GLY72 4.1 19.2 1.0 CA A:GLY107 4.2 17.9 1.0 HA2 A:GLY72 4.2 23.0 1.0 H A:ASN74 4.2 21.4 1.0 CB A:ALA71 4.2 21.6 1.0 HB1 A:ALA73 4.2 26.3 1.0 CA A:ALA71 4.3 18.1 1.0 C A:GLY108 4.3 25.0 1.0 HA2 A:GLY108 4.3 23.0 1.0 O3A A:GDP401 4.3 18.6 1.0 C A:ALA73 4.4 23.1 1.0 CB A:ALA73 4.5 21.9 1.0 O1B A:GDP401 4.6 17.5 1.0 HH12 A:ARG143 4.6 35.6 1.0 HH22 A:ARG143 4.6 49.3 1.0 MG A:MG403 4.6 28.3 0.8 N A:ASN74 4.6 17.9 1.0 O A:ALA71 4.6 18.6 1.0 HB1 A:ALA71 4.7 26.0 1.0 HA3 A:GLY70 4.8 21.8 1.0 OG1 A:THR109 4.8 19.5 1.0 HB2 A:ALA71 4.9 26.0 1.0 O A:HOH619 4.9 22.4 1.0 O3B A:GDP401 5.0 19.3 1.0 HB3 A:ALA73 5.0 26.3 1.0

Fluorine binding site 3 out of 3 in the Saftsz Complexed with Gdp, BEF3- 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, BEF3- and MG2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:22.1 occ:1.00 F3 A:BEF402 0.0 22.1 1.0 BE A:BEF402 1.6 21.4 1.0 MG A:MG403 2.3 28.3 0.8 F1 A:BEF402 2.4 21.7 1.0 F2 A:BEF402 2.5 21.7 1.0 O2B A:GDP401 2.6 20.5 1.0 O A:HOH626 3.0 26.4 1.0 O A:HOH619 3.2 22.4 1.0 O A:HOH582 3.2 20.1 1.0 O1B A:GDP401 3.2 17.5 1.0 PB A:GDP401 3.4 18.1 1.0 HA3 A:GLY70 3.6 21.8 1.0 H A:ALA71 3.7 20.3 1.0 O3A A:GDP401 3.8 18.6 1.0 H A:GLY72 4.0 23.5 1.0 H A:GLY108 4.1 18.6 1.0 H A:ALA73 4.1 20.4 1.0 O A:HOH665 4.3 33.5 1.0 HG1 A:THR109 4.3 23.4 1.0 N A:ALA71 4.4 17.0 1.0 H A:THR109 4.4 21.2 1.0 CA A:GLY70 4.5 18.2 1.0 HA2 A:GLY70 4.6 21.8 1.0 N A:GLY72 4.6 19.5 1.0 O A:HOH630 4.6 30.4 1.0 O1A A:GDP401 4.8 19.0 1.0 O3B A:GDP401 4.8 19.3 1.0 HB3 A:ALA71 4.8 26.0 1.0 C A:GLY70 4.9 17.5 1.0 HB A:THR109 4.9 21.5 1.0 HH22 A:ARG143 4.9 49.3 1.0 HA3 A:GLY107 4.9 21.5 1.0 N A:GLY108 4.9 15.5 1.0 OG1 A:THR109 4.9 19.5 1.0 HB2 A:ASP46 4.9 25.1 1.0 N A:ALA73 4.9 17.0 1.0 PA A:GDP401 5.0 18.9 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