Fluorine in PDB 4kjq: Structure of the Clc-EC1 Deltanc Construct in 100MM Fluoride

The structure of Structure of the Clc-EC1 Deltanc Construct in 100MM Fluoride, PDB code: 4kjq was solved by H.-H.Lim, C Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.37 / 2.88
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.312, 100.150, 169.969, 90.00, 132.02, 90.00
R / Rfree (%)	22 / 26.3

The binding sites of Fluorine atom in the Structure of the Clc-EC1 Deltanc Construct in 100MM Fluoride (pdb code 4kjq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of the Clc-EC1 Deltanc Construct in 100MM Fluoride, PDB code: 4kjq:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of the Clc-EC1 Deltanc Construct in 100MM Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of the Clc-EC1 Deltanc Construct in 100MM Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:47.6 occ:1.00 OH A:TYR445 2.4 54.6 1.0 N A:ILE356 2.5 44.5 1.0 OG A:SER107 2.9 55.8 1.0 N A:PHE357 3.1 46.1 1.0 CA A:GLY355 3.2 45.1 1.0 C A:GLY355 3.3 45.5 1.0 CZ A:TYR445 3.4 45.4 1.0 CB A:SER107 3.4 52.3 1.0 CA A:ILE356 3.5 43.1 1.0 CE2 A:TYR445 3.5 42.2 1.0 CG2 A:ILE356 3.5 41.9 1.0 C A:ILE356 3.7 47.2 1.0 CB A:ILE356 3.8 44.0 1.0 CB A:PHE357 4.1 44.7 1.0 CA A:PHE357 4.1 50.0 1.0 CE1 A:PHE348 4.3 45.8 1.0 CA A:SER107 4.4 49.4 1.0 CD1 A:ILE109 4.4 47.1 1.0 OE1 A:GLU148 4.5 47.3 1.0 O A:GLY355 4.5 43.2 1.0 N A:GLY355 4.6 48.6 1.0 CZ A:PHE348 4.6 45.7 1.0 CE1 A:TYR445 4.7 46.0 1.0 CD2 A:TYR445 4.8 48.9 1.0 O A:ILE356 4.8 45.5 1.0

Fluorine binding site 2 out of 2 in the Structure of the Clc-EC1 Deltanc Construct in 100MM Fluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of the Clc-EC1 Deltanc Construct in 100MM Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:43.5 occ:1.00 OH B:TYR445 2.6 50.9 1.0 N B:ILE356 2.7 46.5 1.0 OG B:SER107 2.9 48.8 1.0 CG2 B:ILE356 2.9 43.5 1.0 CE2 B:TYR445 3.1 48.3 1.0 CZ B:TYR445 3.2 55.9 1.0 CB B:SER107 3.3 48.5 1.0 N B:PHE357 3.4 49.2 1.0 CA B:ILE356 3.5 49.2 1.0 CB B:ILE356 3.5 41.7 1.0 C B:GLY355 3.6 48.5 1.0 CA B:GLY355 3.7 43.0 1.0 C B:ILE356 3.8 52.9 1.0 CE1 B:PHE348 4.2 45.0 1.0 CZ B:PHE348 4.3 40.0 1.0 CD2 B:TYR445 4.4 48.6 1.0 CA B:PHE357 4.4 48.4 1.0 CB B:PHE357 4.4 51.7 1.0 CA B:SER107 4.5 51.0 1.0 CE1 B:TYR445 4.6 54.6 1.0 CG1 B:ILE109 4.7 51.8 1.0 O B:GLY355 4.8 48.8 1.0 O B:ILE356 4.9 50.0 1.0 CD1 B:ILE402 4.9 50.5 1.0

H.H.Lim, R.B.Stockbridge, C.Miller. Fluoride-Dependent Interruption of the Transport Cycle of A Clc Cl(-)/H(+) Antiporter. Nat.Chem.Biol. V. 9 721 2013.
ISSN: ISSN 1552-4450
PubMed: 24036509
DOI: 10.1038/NCHEMBIO.1336