Fluorine in PDB 7ohh: Saftsz Complexed with Gdp and BEF3-

The structure of Saftsz Complexed with Gdp and BEF3-, PDB code: 7ohh 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)	40.99 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.75, 51.06, 87.84, 90, 111.03, 90
R / Rfree (%)	17.7 / 20.7

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

Potassium

(K)

1 atom

The binding sites of Fluorine atom in the Saftsz Complexed with Gdp and BEF3- (pdb code 7ohh). 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 and BEF3-, PDB code: 7ohh:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Saftsz Complexed with Gdp and BEF3-


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 and BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:21.8 occ:1.00 F1 A:BEF402 0.0 21.8 1.0 BE A:BEF402 1.5 22.6 1.0 H A:ALA71 2.0 23.8 1.0 O3B A:GDP401 2.5 20.0 1.0 F3 A:BEF402 2.5 23.8 1.0 F2 A:BEF402 2.5 21.8 1.0 OG1 A:THR109 2.6 19.4 1.0 HB2 A:ALA71 2.8 26.0 1.0 O A:HOH607 2.8 24.9 1.0 H A:THR109 2.8 24.2 1.0 N A:ALA71 2.9 19.8 1.0 HG1 A:THR109 3.0 23.3 1.0 HB A:THR109 3.2 24.4 1.0 HG1 A:THR45 3.2 27.4 1.0 HA3 A:GLY70 3.3 25.7 1.0 CB A:THR109 3.4 20.3 1.0 N A:THR109 3.4 20.1 1.0 CB A:ALA71 3.5 21.7 1.0 HA2 A:GLY70 3.5 25.7 1.0 PB A:GDP401 3.5 19.2 1.0 O1B A:GDP401 3.6 21.0 1.0 H A:GLY108 3.7 22.5 1.0 OG1 A:THR45 3.7 22.8 1.0 CA A:ALA71 3.7 20.5 1.0 HB1 A:ALA71 3.7 26.0 1.0 CA A:GLY70 3.7 21.4 1.0 C A:GLY70 3.8 23.7 1.0 H A:GLY72 3.9 22.9 1.0 HA3 A:GLY108 4.0 26.2 1.0 CA A:THR109 4.0 22.2 1.0 H A:ALA73 4.1 20.7 1.0 C A:GLY108 4.2 20.1 1.0 N A:GLY72 4.3 19.1 1.0 N A:GLY108 4.3 18.8 1.0 C A:ALA71 4.3 20.7 1.0 CA A:GLY108 4.3 21.8 1.0 HB3 A:ALA71 4.3 26.0 1.0 O2B A:GDP401 4.4 22.6 1.0 HA A:THR109 4.4 26.6 1.0 HA A:ALA71 4.5 24.6 1.0 O A:HOH612 4.6 25.0 1.0 CG2 A:THR109 4.7 21.6 1.0 HG21 A:THR109 4.7 26.0 1.0 O3A A:GDP401 4.8 19.9 1.0 HB2 A:ASP46 4.8 28.2 1.0 OD1 A:ASN44 4.9 21.5 1.0 O A:GLY70 5.0 21.4 1.0 N A:ALA73 5.0 17.3 1.0 CB A:THR45 5.0 25.6 1.0

Fluorine binding site 2 out of 3 in the Saftsz Complexed with Gdp and BEF3-


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 and BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:21.8 occ:1.00 F2 A:BEF402 0.0 21.8 1.0 BE A:BEF402 1.6 22.6 1.0 H A:ALA73 2.0 20.7 1.0 H A:GLY108 2.1 22.5 1.0 O3B A:GDP401 2.4 20.0 1.0 F1 A:BEF402 2.5 21.8 1.0 F3 A:BEF402 2.5 23.8 1.0 HA A:ALA73 2.8 20.3 1.0 N A:ALA73 2.9 17.3 1.0 N A:GLY108 2.9 18.8 1.0 HA3 A:GLY108 3.0 26.2 1.0 HB2 A:ALA71 3.2 26.0 1.0 CA A:ALA73 3.4 16.9 1.0 H A:GLY72 3.4 22.9 1.0 H A:ALA71 3.4 23.8 1.0 H A:THR109 3.4 24.2 1.0 CA A:GLY108 3.5 21.8 1.0 N A:GLY72 3.5 19.1 1.0 C A:ALA71 3.8 20.7 1.0 HA3 A:GLY107 3.9 24.9 1.0 C A:GLY72 3.9 21.1 1.0 PB A:GDP401 3.9 19.2 1.0 N A:ALA71 3.9 19.8 1.0 N A:THR109 4.0 20.1 1.0 CB A:ALA71 4.0 21.7 1.0 C A:GLY107 4.0 20.1 1.0 CA A:GLY72 4.1 20.3 1.0 CA A:ALA71 4.1 20.5 1.0 HA2 A:GLY72 4.2 24.3 1.0 H A:ASN74 4.2 24.0 1.0 HA2 A:GLY107 4.2 24.9 1.0 HB2 A:ALA73 4.2 23.6 1.0 C A:GLY108 4.2 20.1 1.0 HA2 A:GLY108 4.3 26.2 1.0 CA A:GLY107 4.3 20.7 1.0 C A:ALA73 4.4 21.2 1.0 O A:HOH670 4.4 30.3 1.0 CB A:ALA73 4.4 19.7 1.0 O3A A:GDP401 4.4 19.9 1.0 HB3 A:ALA71 4.5 26.0 1.0 O A:ALA71 4.5 23.2 1.0 N A:ASN74 4.6 20.0 1.0 HH12 A:ARG143 4.6 44.8 1.0 O1B A:GDP401 4.6 21.0 1.0 HB1 A:ALA71 4.7 26.0 1.0 HA3 A:GLY70 4.7 25.7 1.0 OG1 A:THR109 4.7 19.4 1.0 HH22 A:ARG143 4.8 48.6 1.0 O2B A:GDP401 4.9 22.6 1.0 O A:HOH607 4.9 24.9 1.0 HG1 A:THR109 4.9 23.3 1.0 C A:GLY70 4.9 23.7 1.0 HB1 A:ALA73 5.0 23.6 1.0

Fluorine binding site 3 out of 3 in the Saftsz Complexed with Gdp and BEF3-


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 and BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:23.8 occ:1.00 F3 A:BEF402 0.0 23.8 1.0 BE A:BEF402 1.6 22.6 1.0 F1 A:BEF402 2.5 21.8 1.0 O3B A:GDP401 2.5 20.0 1.0 F2 A:BEF402 2.5 21.8 1.0 O A:HOH565 3.1 23.6 1.0 O A:HOH607 3.2 24.9 1.0 O1B A:GDP401 3.2 21.0 1.0 O A:HOH670 3.2 30.3 1.0 O A:HOH612 3.3 25.0 1.0 PB A:GDP401 3.3 19.2 1.0 HA3 A:GLY70 3.7 25.7 1.0 O3A A:GDP401 3.7 19.9 1.0 H A:ALA71 3.8 23.8 1.0 H A:GLY108 4.1 22.5 1.0 H A:GLY72 4.2 22.9 1.0 H A:ALA73 4.2 20.7 1.0 H A:THR109 4.4 24.2 1.0 N A:ALA71 4.5 19.8 1.0 CA A:GLY70 4.6 21.4 1.0 O1A A:GDP401 4.6 18.9 1.0 O2B A:GDP401 4.7 22.6 1.0 HA2 A:GLY70 4.7 25.7 1.0 O A:HOH640 4.8 28.8 1.0 N A:GLY72 4.8 19.1 1.0 PA A:GDP401 4.8 18.6 1.0 HB2 A:ALA71 4.8 26.0 1.0 HB A:THR109 4.8 24.4 1.0 OG1 A:THR109 4.9 19.4 1.0 HA3 A:GLY107 4.9 24.9 1.0 HH22 A:ARG143 4.9 48.6 1.0 HB2 A:ASP46 4.9 28.2 1.0 N A:GLY108 4.9 18.8 1.0 H A:GLY21 5.0 22.3 1.0 C A:GLY70 5.0 23.7 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