Fluorine in PDB 2vui: Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State

The structure of Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State, PDB code: 2vui was solved by K.M.Davies, E.D.Lowe, C.Venien-Bryan, L.N.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.30 / 2.90
Space group	P 32 1 2
Cell size a, b, c (Å), α, β, γ (°)	81.893, 81.893, 61.812, 90.00, 90.00, 120.00
R / Rfree (%)	25.78 / 32.02

The structure of Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State (pdb code 2vui). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State, PDB code: 2vui:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State within 5.0Å range: probe atom residue distance (Å) B Occ B:F1142 b:0.1 occ:1.00 F1 B:BEF1142 0.0 0.1 1.0 BE B:BEF1142 1.4 0.1 1.0 F2 B:BEF1142 2.2 0.1 1.0 F3 B:BEF1142 2.2 0.1 1.0 OG1 B:THR83 2.7 0.1 1.0 OD1 B:ASP55 2.7 0.1 1.0 O B:ILE82 2.8 0.1 1.0 CA B:THR83 2.8 0.3 1.0 CB B:THR83 3.2 0.2 1.0 N B:GLY84 3.4 0.4 1.0 C B:ILE82 3.6 0.4 1.0 C B:THR83 3.7 0.2 1.0 N B:THR83 3.7 0.4 1.0 N B:GLN56 3.8 0.7 1.0 N B:ARG57 3.8 1.0 1.0 CG B:ARG57 3.9 0.3 1.0 CG B:ASP55 4.0 0.3 1.0 CB B:GLN56 4.0 0.1 1.0 CD1 B:TYR85 4.2 0.5 1.0 CB B:ARG57 4.3 0.7 1.0 CA B:GLN56 4.3 1.0 1.0 CE1 B:TYR85 4.5 0.2 1.0 CG2 B:THR83 4.6 0.3 1.0 CE B:LYS106 4.6 0.1 1.0 C B:GLN56 4.6 0.2 1.0 NZ B:LYS106 4.7 0.1 1.0 CA B:ARG57 4.7 0.2 1.0 CA B:GLY84 4.7 0.0 1.0 OD2 B:ASP55 4.7 0.4 1.0 N B:TYR85 4.7 0.3 1.0 CA B:ASP55 4.7 0.6 1.0 C B:ASP55 4.7 0.5 1.0 CD B:LYS106 4.9 0.8 1.0 O B:THR83 4.9 0.8 1.0 CB B:ASP55 5.0 0.3 1.0

Fluorine binding site 2 out of 3 in the Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State within 5.0Å range: probe atom residue distance (Å) B Occ B:F1142 b:0.1 occ:1.00 F2 B:BEF1142 0.0 0.1 1.0 BE B:BEF1142 1.4 0.1 1.0 F1 B:BEF1142 2.2 0.1 1.0 F3 B:BEF1142 2.2 0.1 1.0 OD1 B:ASP55 2.7 0.1 1.0 CE1 B:TYR85 2.9 0.2 1.0 CG B:ARG57 2.9 0.3 1.0 CB B:ARG57 3.0 0.7 1.0 CD1 B:TYR85 3.2 0.5 1.0 MG B:MG1143 3.2 0.4 1.0 CG B:ASP55 3.7 0.3 1.0 N B:ARG57 3.8 1.0 1.0 OD2 B:ASP55 3.9 0.4 1.0 CA B:ARG57 3.9 0.2 1.0 OG1 B:THR83 4.2 0.1 1.0 CZ B:TYR85 4.2 0.4 1.0 N B:GLY84 4.2 0.4 1.0 O B:ARG57 4.3 0.1 1.0 CD B:ARG57 4.4 0.2 1.0 NZ B:LYS106 4.5 0.1 1.0 CG B:TYR85 4.6 0.8 1.0 C B:ARG57 4.6 0.9 1.0 OH B:TYR85 4.6 0.4 1.0 CA B:THR83 4.7 0.3 1.0 O B:ILE82 4.7 0.1 1.0 N B:GLN56 4.9 0.7 1.0 N B:TYR85 4.9 0.3 1.0 C B:GLN56 5.0 0.2 1.0 CE B:LYS106 5.0 0.1 1.0

Fluorine binding site 3 out of 3 in the Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Hupr Receiver Domain in Inhibitory Phospho-State within 5.0Å range: probe atom residue distance (Å) B Occ B:F1142 b:0.1 occ:1.00 F3 B:BEF1142 0.0 0.1 1.0 BE B:BEF1142 1.4 0.1 1.0 F2 B:BEF1142 2.2 0.1 1.0 F1 B:BEF1142 2.2 0.1 1.0 NZ B:LYS106 2.8 0.1 1.0 OD1 B:ASP55 2.9 0.1 1.0 CE B:LYS106 2.9 0.1 1.0 CD B:LYS106 3.0 0.8 1.0 N B:GLY84 3.3 0.4 1.0 O B:ILE82 3.7 0.1 1.0 CA B:THR83 3.7 0.3 1.0 CG B:ASP55 3.8 0.3 1.0 C B:THR83 3.9 0.2 1.0 CG B:LYS106 4.1 0.8 1.0 OD2 B:ASP55 4.1 0.4 1.0 MG B:MG1143 4.1 0.4 1.0 CA B:GLY84 4.2 0.0 1.0 C B:ILE82 4.4 0.4 1.0 N B:THR83 4.4 0.4 1.0 CE1 B:TYR85 4.4 0.2 1.0 OG1 B:THR83 4.5 0.1 1.0 CD1 B:TYR85 4.6 0.5 1.0 CB B:THR83 4.8 0.2 1.0 CB B:LYS106 4.8 0.7 1.0 CB B:ASP55 4.9 0.3 1.0

K.M.Davies, E.D.Lowe, C.Venien-Bryan, L.N.Johnson. The Hupr Receiver Domain Crystal Structure in Its Nonphospho and Inhibitory Phospho States. J.Mol.Biol. V. 385 51 2009.
ISSN: ISSN 0022-2836
PubMed: 18977359
DOI: 10.1016/J.JMB.2008.10.027