Fluorine in PDB 7lza: Activated Form of Vanr From S. Coelicolor

The structure of Activated Form of Vanr From S. Coelicolor, PDB code: 7lza was solved by L.J.Maciunas, P.J.Loll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.85 / 2.03
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	97.37, 97.37, 118.65, 90, 90, 120
R / Rfree (%)	18.2 / 22.2

The structure of Activated Form of Vanr From S. Coelicolor also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Fluorine atom in the Activated Form of Vanr From S. Coelicolor (pdb code 7lza). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Activated Form of Vanr From S. Coelicolor, PDB code: 7lza:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Activated Form of Vanr From S. Coelicolor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Activated Form of Vanr From S. Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:35.1 occ:1.00 F1 A:BEF301 0.0 35.1 1.0 BE A:BEF301 1.5 37.5 1.0 MG A:MG302 2.0 34.6 1.0 OD1 A:ASP51 2.5 34.2 1.0 F3 A:BEF301 2.5 33.6 1.0 F2 A:BEF301 2.5 33.0 1.0 OD2 A:ASP51 2.7 33.5 1.0 O A:HOH446 2.8 34.9 1.0 CG A:ASP51 2.9 35.7 1.0 O A:HOH518 3.0 37.2 1.0 O A:ASP53 3.0 34.4 1.0 O A:HOH565 3.4 45.5 1.0 CB A:ASP53 3.4 35.5 1.0 N A:ASP53 3.6 34.8 1.0 C A:ASP53 3.8 33.7 1.0 CA A:ASP53 3.8 36.6 1.0 O A:HOH561 3.8 43.8 1.0 OD2 A:ASP8 4.1 39.1 1.0 NZ A:LYS101 4.3 39.0 1.0 CG A:ASP53 4.4 44.4 1.0 CB A:ASP51 4.5 34.5 1.0 N A:ARG52 4.5 31.1 1.0 OD2 A:ASP53 4.5 49.8 1.0 C A:ARG52 4.8 36.7 1.0 OG1 A:THR79 4.9 31.0 1.0

Fluorine binding site 2 out of 3 in the Activated Form of Vanr From S. Coelicolor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Activated Form of Vanr From S. Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:33.0 occ:1.00 F2 A:BEF301 0.0 33.0 1.0 BE A:BEF301 1.6 37.5 1.0 OD1 A:ASP51 2.3 34.2 1.0 F3 A:BEF301 2.5 33.6 1.0 F1 A:BEF301 2.5 35.1 1.0 OG1 A:THR79 2.5 31.0 1.0 O A:HOH561 2.8 43.8 1.0 N A:ASP53 3.1 34.8 1.0 N A:ARG52 3.1 31.1 1.0 CB A:THR79 3.4 35.4 1.0 CG A:ASP51 3.4 35.7 1.0 CB A:ARG52 3.6 31.2 1.0 CA A:ARG52 3.7 31.6 1.0 N A:ALA80 3.9 33.6 1.0 C A:ARG52 3.9 36.7 1.0 CA A:THR79 3.9 33.1 1.0 CB A:ASP53 3.9 35.5 1.0 OD2 A:ASP51 4.1 33.5 1.0 CA A:ASP53 4.1 36.6 1.0 C A:ASP51 4.2 34.2 1.0 MG A:MG302 4.3 34.6 1.0 C A:THR79 4.4 32.0 1.0 CG A:ARG52 4.4 35.9 1.0 CA A:ASP51 4.5 30.4 1.0 CB A:ASP51 4.5 34.5 1.0 O A:HOH550 4.5 33.5 0.6 O A:ASP53 4.6 34.4 1.0 N A:ALA81 4.7 36.3 1.0 O A:HOH565 4.8 45.5 1.0 C A:ASP53 4.8 33.7 1.0 CG2 A:THR79 4.8 36.5 1.0 CA A:ALA80 4.9 37.5 1.0 O A:LEU78 4.9 32.5 1.0 CB A:ALA80 4.9 35.8 1.0 O A:HOH446 5.0 34.9 1.0

Fluorine binding site 3 out of 3 in the Activated Form of Vanr From S. Coelicolor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Activated Form of Vanr From S. Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:33.6 occ:1.00 F3 A:BEF301 0.0 33.6 1.0 BE A:BEF301 1.6 37.5 1.0 F2 A:BEF301 2.5 33.0 1.0 OD1 A:ASP51 2.5 34.2 1.0 F1 A:BEF301 2.5 35.1 1.0 N A:ALA80 2.9 33.6 1.0 NZ A:LYS101 2.9 39.0 1.0 O A:HOH565 3.0 45.5 1.0 CE A:LYS101 3.3 38.3 1.0 CA A:THR79 3.5 33.1 1.0 CG A:ASP51 3.5 35.7 1.0 CB A:ALA80 3.6 35.8 1.0 OG1 A:THR79 3.6 31.0 1.0 C A:THR79 3.6 32.0 1.0 O A:HOH446 3.7 34.9 1.0 CD A:LYS101 3.7 38.3 1.0 CA A:ALA80 3.8 37.5 1.0 OD2 A:ASP51 3.9 33.5 1.0 O A:HOH561 4.0 43.8 1.0 CB A:THR79 4.0 35.4 1.0 MG A:MG302 4.1 34.6 1.0 O A:LEU78 4.4 32.5 1.0 N A:THR79 4.6 31.1 1.0 CG A:LYS101 4.8 35.6 1.0 CB A:ASP51 4.8 34.5 1.0 O A:THR79 4.8 32.5 1.0 O A:HOH503 4.8 41.6 1.0 OE2 A:GLU7 4.8 40.5 1.0 C A:ALA80 4.9 38.1 1.0 N A:ARG52 4.9 31.1 1.0 N A:ALA81 4.9 36.3 1.0 C A:LEU78 5.0 32.2 1.0

L.J.Maciunas, N.Porter, P.J.Lee, K.Gupta, P.J.Loll. Structures of Full-Length Vanr From S. Coelicolor in Both the Inactive and Activated States Acta Crystallogr.,Sect.D V. D77 2021.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798321006288