Fluorine in PDB 7ohl: Saftsz Complexed with Gdp, BEF3- and MN2+

The structure of Saftsz Complexed with Gdp, BEF3- and MN2+, PDB code: 7ohl 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)	41.14 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.02, 51.49, 88.02, 90, 110.82, 90
R / Rfree (%)	17 / 21.1

The structure of Saftsz Complexed with Gdp, BEF3- and MN2+ also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Potassium	(K)	1 atom

The binding sites of Fluorine atom in the Saftsz Complexed with Gdp, BEF3- and MN2+ (pdb code 7ohl). 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 MN2+, PDB code: 7ohl:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Saftsz Complexed with Gdp, BEF3- and MN2+


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 MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:28.8 occ:1.00 F1 A:BEF402 0.0 28.8 1.0 BE A:BEF402 1.5 28.4 1.0 H A:ALA71 2.1 35.0 1.0 HG1 A:THR109 2.1 36.0 1.0 F2 A:BEF402 2.4 30.6 1.0 O3B A:GDP401 2.4 28.1 1.0 F3 A:BEF402 2.5 31.3 1.0 H A:THR109 2.7 34.6 1.0 HB3 A:ALA71 2.8 37.2 1.0 OG1 A:THR109 2.8 30.0 1.0 O A:HOH538 2.9 32.6 1.0 N A:ALA71 2.9 29.2 1.0 HB A:THR109 3.3 32.2 1.0 HA3 A:GLY70 3.3 34.6 1.0 N A:THR109 3.4 28.9 1.0 CB A:ALA71 3.5 31.0 1.0 CB A:THR109 3.5 26.8 1.0 H A:GLY108 3.5 34.5 1.0 PB A:GDP401 3.5 30.0 1.0 MN A:MN403 3.6 30.5 1.0 H A:GLY72 3.6 33.1 1.0 HB2 A:ALA71 3.6 37.2 1.0 CA A:ALA71 3.7 27.9 1.0 HG1 A:THR45 3.7 37.5 1.0 O1B A:GDP401 3.7 26.4 1.0 HA2 A:GLY70 3.7 34.6 1.0 CA A:GLY70 3.8 28.8 1.0 C A:GLY70 3.8 31.7 1.0 HA3 A:GLY108 3.8 34.7 1.0 OG1 A:THR45 3.9 31.3 1.0 H A:ALA73 3.9 36.6 1.0 CA A:THR109 4.0 29.0 1.0 N A:GLY72 4.1 27.6 1.0 N A:GLY108 4.1 28.7 1.0 C A:GLY108 4.2 30.9 1.0 CA A:GLY108 4.2 28.9 1.0 C A:ALA71 4.3 28.7 1.0 HB1 A:ALA71 4.3 37.2 1.0 O2B A:GDP401 4.4 26.4 1.0 HA A:THR109 4.4 34.8 1.0 HA A:ALA71 4.5 33.5 1.0 O A:HOH568 4.5 27.8 1.0 O3A A:GDP401 4.8 28.9 1.0 N A:ALA73 4.8 30.5 1.0 CG2 A:THR109 4.8 28.8 1.0 HG23 A:THR109 4.8 34.6 1.0 OD1 A:ASN44 4.9 32.2 1.0 HA A:ALA73 4.9 32.8 1.0 HB2 A:ASP46 5.0 43.8 1.0

Fluorine binding site 2 out of 3 in the Saftsz Complexed with Gdp, BEF3- and MN2+


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 MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:30.6 occ:1.00 F2 A:BEF402 0.0 30.6 1.0 BE A:BEF402 1.6 28.4 1.0 H A:ALA73 2.0 36.6 1.0 H A:GLY108 2.1 34.5 1.0 F1 A:BEF402 2.4 28.8 1.0 O3B A:GDP401 2.5 28.1 1.0 F3 A:BEF402 2.6 31.3 1.0 HA A:ALA73 2.7 32.8 1.0 N A:ALA73 2.8 30.5 1.0 N A:GLY108 2.9 28.7 1.0 HA3 A:GLY108 2.9 34.7 1.0 HB3 A:ALA71 3.1 37.2 1.0 H A:GLY72 3.2 33.1 1.0 H A:THR109 3.3 34.6 1.0 CA A:ALA73 3.3 27.3 1.0 H A:ALA71 3.3 35.0 1.0 CA A:GLY108 3.4 28.9 1.0 N A:GLY72 3.5 27.6 1.0 N A:THR109 3.9 28.9 1.0 HA3 A:GLY107 3.9 34.8 1.0 C A:GLY72 3.9 33.4 1.0 PB A:GDP401 3.9 30.0 1.0 N A:ALA71 3.9 29.2 1.0 C A:ALA71 4.0 28.7 1.0 C A:GLY107 4.0 29.8 1.0 CB A:ALA71 4.0 31.0 1.0 HG1 A:THR109 4.0 36.0 1.0 CA A:GLY72 4.2 28.9 1.0 HA2 A:GLY108 4.2 34.7 1.0 C A:GLY108 4.2 30.9 1.0 CA A:ALA71 4.2 27.9 1.0 HB2 A:ALA73 4.2 35.6 1.0 HA2 A:GLY107 4.2 34.8 1.0 HA2 A:GLY72 4.3 34.7 1.0 CA A:GLY107 4.3 29.0 1.0 H A:ASN74 4.3 38.0 1.0 C A:ALA73 4.4 34.6 1.0 CB A:ALA73 4.4 29.6 1.0 O3A A:GDP401 4.4 28.9 1.0 HB1 A:ALA71 4.5 37.2 1.0 HB2 A:ALA71 4.6 37.2 1.0 MN A:MN403 4.6 30.5 1.0 HH12 A:ARG143 4.6 53.3 1.0 O A:ALA71 4.6 30.2 1.0 N A:ASN74 4.7 31.7 1.0 HA3 A:GLY70 4.7 34.6 1.0 O1B A:GDP401 4.7 26.4 1.0 OG1 A:THR109 4.8 30.0 1.0 HB A:THR109 4.9 32.2 1.0 O A:HOH538 4.9 32.6 1.0 O2B A:GDP401 4.9 26.4 1.0 HB1 A:ALA73 4.9 35.6 1.0 C A:GLY70 5.0 31.7 1.0

Fluorine binding site 3 out of 3 in the Saftsz Complexed with Gdp, BEF3- and MN2+


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 MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:31.3 occ:1.00 F3 A:BEF402 0.0 31.3 1.0 BE A:BEF402 1.6 28.4 1.0 MN A:MN403 2.2 30.5 1.0 F1 A:BEF402 2.5 28.8 1.0 F2 A:BEF402 2.6 30.6 1.0 O3B A:GDP401 2.6 28.1 1.0 O A:HOH568 3.0 27.8 1.0 O1B A:GDP401 3.1 26.4 1.0 O A:HOH521 3.2 33.5 1.0 PB A:GDP401 3.2 30.0 1.0 O A:HOH538 3.2 32.6 1.0 O3A A:GDP401 3.7 28.9 1.0 HA3 A:GLY70 3.8 34.6 1.0 H A:ALA71 3.9 35.0 1.0 O A:HOH588 4.0 44.3 1.0 H A:GLY108 4.0 34.5 1.0 H A:GLY72 4.1 33.1 1.0 H A:ALA73 4.2 36.6 1.0 O A:HOH573 4.4 27.2 1.0 H A:THR109 4.4 34.6 1.0 HG1 A:THR109 4.5 36.0 1.0 N A:ALA71 4.6 29.2 1.0 O1A A:GDP401 4.6 32.4 1.0 O2B A:GDP401 4.7 26.4 1.0 CA A:GLY70 4.7 28.8 1.0 HB A:THR109 4.8 32.2 1.0 N A:GLY72 4.8 27.6 1.0 PA A:GDP401 4.9 31.3 1.0 N A:GLY108 4.9 28.7 1.0 HB3 A:ALA71 4.9 37.2 1.0 HA3 A:GLY107 4.9 34.8 1.0 HA2 A:GLY70 4.9 34.6 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